N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide

C125H129FN16O9 — CID 157157220

IUPACN-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide
SMILESC=CC(=O)CCc1ccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)cc1.C=CC(=O)NCc1cccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)c1.CCC(=O)NCc1ccccc1C[C@@H](C)c1cccc(NC(=O)c2cncc(C)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cccc(CNC(=O)CF)c3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cnc(C#N)nc3)c2)c1
InChIInChI=1S/C27H28N2O2.C26H27N3O2.C26H29N3O2.C25H26FN3O2.C21H19N5O/c1-4-26(30)13-12-21-8-10-22(11-9-21)15-20(3)23-6-5-7-25(16-23)29-27(31)24-14-19(2)17-28-18-24;1-4-25(30)28-16-21-8-5-7-20(13-21)12-19(3)22-9-6-10-24(14-22)29-26(31)23-11-18(2)15-27-17-23;1-4-25(30)28-17-22-9-6-5-8-21(22)13-19(3)20-10-7-11-24(14-20)29-26(31)23-12-18(2)15-27-16-23;1-17-9-22(16-27-14-17)25(31)29-23-8-4-7-21(12-23)18(2)10-19-5-3-6-20(11-19)15-28-24(30)13-26;1-14-6-18(13-23-10-14)21(27)26-19-5-3-4-17(8-19)15(2)7-16-11-24-20(9-22)25-12-16/h4-11,14,16-18,20H,1,12-13,15H2,2-3H3,(H,29,31);4-11,13-15,17,19H,1,12,16H2,2-3H3,(H,28,30)(H,29,31);5-12,14-16,19H,4,13,17H2,1-3H3,(H,28,30)(H,29,31);3-9,11-12,14,16,18H,10,13,15H2,1-2H3,(H,28,30)(H,29,31);3-6,8,10-13,15H,7H2,1-2H3,(H,26,27)/t20-;2*19-;18-;15-/m11111/s1
InChIKeyALYJWAQMKBSMNH-ANUBLQAJSA-N
MW2018.51 g/mol
LogP23.71
Rot. Bonds38

About N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide

N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 157157220) has the molecular formula C125H129FN16O9 and a molecular weight of 2018.51 g/mol. Its IUPAC name is N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID157157220
Molecular FormulaC125H129FN16O9
Molecular Weight2018.51 g/mol
Exact Mass2017.01
IUPAC NameN-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide
SMILESC=CC(=O)CCc1ccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)cc1.C=CC(=O)NCc1cccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)c1.CCC(=O)NCc1ccccc1C[C@@H](C)c1cccc(NC(=O)c2cncc(C)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cccc(CNC(=O)CF)c3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cnc(C#N)nc3)c2)c1
InChIInChI=1S/C27H28N2O2.C26H27N3O2.C26H29N3O2.C25H26FN3O2.C21H19N5O/c1-4-26(30)13-12-21-8-10-22(11-9-21)15-20(3)23-6-5-7-25(16-23)29-27(31)24-14-19(2)17-28-18-24;1-4-25(30)28-16-21-8-5-7-20(13-21)12-19(3)22-9-6-10-24(14-22)29-26(31)23-11-18(2)15-27-17-23;1-4-25(30)28-17-22-9-6-5-8-21(22)13-19(3)20-10-7-11-24(14-20)29-26(31)23-12-18(2)15-27-16-23;1-17-9-22(16-27-14-17)25(31)29-23-8-4-7-21(12-23)18(2)10-19-5-3-6-20(11-19)15-28-24(30)13-26;1-14-6-18(13-23-10-14)21(27)26-19-5-3-4-17(8-19)15(2)7-16-11-24-20(9-22)25-12-16/h4-11,14,16-18,20H,1,12-13,15H2,2-3H3,(H,29,31);4-11,13-15,17,19H,1,12,16H2,2-3H3,(H,28,30)(H,29,31);5-12,14-16,19H,4,13,17H2,1-3H3,(H,28,30)(H,29,31);3-9,11-12,14,16,18H,10,13,15H2,1-2H3,(H,28,30)(H,29,31);3-6,8,10-13,15H,7H2,1-2H3,(H,26,27)/t20-;2*19-;18-;15-/m11111/s1
InChIKeyALYJWAQMKBSMNH-ANUBLQAJSA-N
XLogP23.71
TPSA363.89 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.51
LogP ≤ 523.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide (CID 157157220) is N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide is C=CC(=O)CCc1ccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)cc1.C=CC(=O)NCc1cccc(C[C@@H](C)c2cccc(NC(=O)c3cncc(C)c3)c2)c1.CCC(=O)NCc1ccccc1C[C@@H](C)c1cccc(NC(=O)c2cncc(C)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cccc(CNC(=O)CF)c3)c2)c1.Cc1cncc(C(=O)Nc2cccc([C@H](C)Cc3cnc(C#N)nc3)c2)c1.
What is the InChIKey of N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ALYJWAQMKBSMNH-ANUBLQAJSA-N. The full InChI is InChI=1S/C27H28N2O2.C26H27N3O2.C26H29N3O2.C25H26FN3O2.C21H19N5O/c1-4-26(30)13-12-21-8-10-22(11-9-21)15-20(3)23-6-5-7-25(16-23)29-27(31)24-14-19(2)17-28-18-24;1-4-25(30)28-16-21-8-5-7-20(13-21)12-19(3)22-9-6-10-24(14-22)29-26(31)23-11-18(2)15-27-17-23;1-4-25(30)28-17-22-9-6-5-8-21(22)13-19(3)20-10-7-11-24(14-20)29-26(31)23-12-18(2)15-27-16-23;1-17-9-22(16-27-14-17)25(31)29-23-8-4-7-21(12-23)18(2)10-19-5-3-6-20(11-19)15-28-24(30)13-26;1-14-6-18(13-23-10-14)21(27)26-19-5-3-4-17(8-19)15(2)7-16-11-24-20(9-22)25-12-16/h4-11,14,16-18,20H,1,12-13,15H2,2-3H3,(H,29,31);4-11,13-15,17,19H,1,12,16H2,2-3H3,(H,28,30)(H,29,31);5-12,14-16,19H,4,13,17H2,1-3H3,(H,28,30)(H,29,31);3-9,11-12,14,16,18H,10,13,15H2,1-2H3,(H,28,30)(H,29,31);3-6,8,10-13,15H,7H2,1-2H3,(H,26,27)/t20-;2*19-;18-;15-/m11111/s1.
What are the key properties of N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide?
N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2018.51 g/mol, XLogP of 23.71, 38 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(2-cyanopyrimidin-5-yl)propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[3-[[(2-fluoroacetyl)amino]methyl]phenyl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[4-(3-oxopent-4-enyl)phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[2-[(propanoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide;5-methyl-N-[3-[(2R)-1-[3-[(prop-2-enoylamino)methyl]phenyl]propan-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157157220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).