N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide

C221H226FN55O14 — CID 165050683

IUPACN-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1
InChIInChI=1S/2C26H28N6O2.C25H25FN6O2.C25H26N6O2.C24H24N6O2.3C24H24N6O.C23H23N7O/c1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-5-34-23-8-6-19(7-9-23)14-28-26(33)24-16(2)10-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26;1-4-33-22-8-5-18(6-9-22)14-27-25(32)23-10-7-19(15-26-23)24-28-16(2)11-20(29-24)13-21-12-17(3)30-31-21;1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20/h5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);6-12,15H,5,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32);5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H,30,31);4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30)
InChIKeyPPMWHBDZLBEIIO-UHFFFAOYSA-N
MW3895.61 g/mol
LogP34.86
Rot. Bonds64

About N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 165050683) has the molecular formula C221H226FN55O14 and a molecular weight of 3895.61 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID165050683
Molecular FormulaC221H226FN55O14
Molecular Weight3895.61 g/mol
Exact Mass3892.86
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1
InChIInChI=1S/2C26H28N6O2.C25H25FN6O2.C25H26N6O2.C24H24N6O2.3C24H24N6O.C23H23N7O/c1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-5-34-23-8-6-19(7-9-23)14-28-26(33)24-16(2)10-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26;1-4-33-22-8-5-18(6-9-22)14-27-25(32)23-10-7-19(15-26-23)24-28-16(2)11-20(29-24)13-21-12-17(3)30-31-21;1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20/h5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);6-12,15H,5,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32);5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H,30,31);4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30)
InChIKeyPPMWHBDZLBEIIO-UHFFFAOYSA-N
XLogP34.86
TPSA927.09 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds64
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003895.61
LogP ≤ 534.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide (CID 165050683) is N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is CCOc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.CCOc1ccc(CNC(=O)c2ncc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cc2C)cc1.COc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)F)cc3)nc2)n1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)cc1.Cc1ccc(CNC(=O)c2ccc(-c3nc(C)cc(Cc4cc(C)[nH]n4)n3)cn2)nc1.Cc1cccc(CCC(=O)c2ccc(-c3nc(C)cc(Nc4cc(C)[nH]n4)n3)cn2)c1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is PPMWHBDZLBEIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N6O2.C25H25FN6O2.C25H26N6O2.C24H24N6O2.3C24H24N6O.C23H23N7O/c1-16(2)34-23-8-5-19(6-9-23)14-28-26(33)24-10-7-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-5-34-23-8-6-19(7-9-23)14-28-26(33)24-16(2)10-20(15-27-24)25-29-17(3)11-21(30-25)13-22-12-18(4)31-32-22;1-15-10-20(12-21-11-16(2)31-32-21)30-24(29-15)19-6-9-23(27-14-19)25(33)28-13-18-4-7-22(8-5-18)34-17(3)26;1-4-33-22-8-5-18(6-9-22)14-27-25(32)23-10-7-19(15-26-23)24-28-16(2)11-20(29-24)13-21-12-17(3)30-31-21;1-15-10-19(12-20-11-16(2)29-30-20)28-23(27-15)18-6-9-22(25-14-18)24(31)26-13-17-4-7-21(32-3)8-5-17;2*1-15-4-6-18(7-5-15)13-26-24(31)22-9-8-19(14-25-22)23-27-16(2)10-20(28-23)12-21-11-17(3)29-30-21;1-15-5-4-6-18(11-15)7-10-21(31)20-9-8-19(14-25-20)24-26-16(2)12-22(28-24)27-23-13-17(3)29-30-23;1-14-4-6-18(24-11-14)13-26-23(31)21-7-5-17(12-25-21)22-27-15(2)8-19(28-22)10-20-9-16(3)29-30-20/h5-12,15-16H,13-14H2,1-4H3,(H,28,33)(H,31,32);6-12,15H,5,13-14H2,1-4H3,(H,28,33)(H,31,32);4-11,14,17H,12-13H2,1-3H3,(H,28,33)(H,31,32);5-12,15H,4,13-14H2,1-3H3,(H,27,32)(H,30,31);4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);2*4-11,14H,12-13H2,1-3H3,(H,26,31)(H,29,30);4-6,8-9,11-14H,7,10H2,1-3H3,(H2,26,27,28,29,30);4-9,11-12H,10,13H2,1-3H3,(H,26,31)(H,29,30).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 3895.61 g/mol, XLogP of 34.86, 64 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 165050683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).