N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide

C21H19ClN4O2 — CID 109211921

IUPACN-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-3-2-4-19(11-18)26-21(28)20-12-17(9-10-23-20)24-13-15-5-7-16(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyNWMCYPDCZAYHEM-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.56
Rot. Bonds6

About N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide

N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109211921) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109211921
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-3-2-4-19(11-18)26-21(28)20-12-17(9-10-23-20)24-13-15-5-7-16(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyNWMCYPDCZAYHEM-UHFFFAOYSA-N
XLogP4.56
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
4-[(4-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109211927
N-(3-acetamidophenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213194
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211561
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
4-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211894
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide (CID 109211921) is N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is NWMCYPDCZAYHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)25-18-3-2-4-19(11-18)26-21(28)20-12-17(9-10-23-20)24-13-15-5-7-16(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109211921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).