N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

C73H62F5N19O7S — CID 123487844

IUPACN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccnc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.CN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C20H17N5O3.C19H17F2N5O.C18H17N5O.C16H11F3N4O2S/c1-13(2)27-16-3-4-24-19(8-16)20(26)25-15-5-14(9-21)6-17(7-15)28-18-10-22-12-23-11-18;1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12/h3-8,10-13H,1-2H3,(H,25,26);3-12H,1-2H3,(H,24,27);3-12H,1-2H3,(H,22,24);2-8H,1H3,(H,22,24)
InChIKeySJBXWZYHGILLFO-UHFFFAOYSA-N
MW1444.48 g/mol
LogP15.01
Rot. Bonds20

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 123487844) has the molecular formula C73H62F5N19O7S and a molecular weight of 1444.48 g/mol. Its IUPAC name is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
PubChem CID123487844
Molecular FormulaC73H62F5N19O7S
Molecular Weight1444.48 g/mol
Exact Mass1443.47
IUPAC NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide
SMILESCC(C)Oc1ccnc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.CN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1
InChIInChI=1S/C20H17N5O3.C19H17F2N5O.C18H17N5O.C16H11F3N4O2S/c1-13(2)27-16-3-4-24-19(8-16)20(26)25-15-5-14(9-21)6-17(7-15)28-18-10-22-12-23-11-18;1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12/h3-8,10-13H,1-2H3,(H,25,26);3-12H,1-2H3,(H,24,27);3-12H,1-2H3,(H,22,24);2-8H,1H3,(H,22,24)
InChIKeySJBXWZYHGILLFO-UHFFFAOYSA-N
XLogP15.01
TPSA329.04 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms105
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.48
LogP ≤ 515.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide (CID 123487844) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is CC(C)Oc1ccnc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.CN(c1cncnc1)c1cccc(NC(=O)c2cccc(C(C)(F)F)n2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncnc3)c2)n1.
What is the InChIKey of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is SJBXWZYHGILLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3.C19H17F2N5O.C18H17N5O.C16H11F3N4O2S/c1-13(2)27-16-3-4-24-19(8-16)20(26)25-15-5-14(9-21)6-17(7-15)28-18-10-22-12-23-11-18;1-19(20,21)17-8-4-7-16(25-17)18(27)24-13-5-3-6-14(9-13)26(2)15-10-22-12-23-11-15;1-13-5-3-8-17(21-13)18(24)22-14-6-4-7-15(9-14)23(2)16-10-19-12-20-11-16;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12/h3-8,10-13H,1-2H3,(H,25,26);3-12H,1-2H3,(H,24,27);3-12H,1-2H3,(H,22,24);2-8H,1H3,(H,22,24).
What are the key properties of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide?
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 1444.48 g/mol, XLogP of 15.01, 20 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;6-(1,1-difluoroethyl)-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;6-methyl-N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 123487844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).