N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide

C21H19ClN4O2 — CID 109156954

IUPACN-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-7-9-19(10-8-18)26-21(28)16-4-11-20(24-13-16)23-12-15-2-5-17(22)6-3-15/h2-11,13H,12H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyPQYWAYHRGVSBER-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.56
Rot. Bonds6

About N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109156954) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109156954
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-14(27)25-18-7-9-19(10-8-18)26-21(28)16-4-11-20(24-13-16)23-12-15-2-5-17(22)6-3-15/h2-11,13H,12H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyPQYWAYHRGVSBER-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-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
N-(3,4-difluorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109156026
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylic acid
CID 28740301
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide (CID 109156954) is N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is PQYWAYHRGVSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-14(27)25-18-7-9-19(10-8-18)26-21(28)16-4-11-20(24-13-16)23-12-15-2-5-17(22)6-3-15/h2-11,13H,12H2,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-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-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109156954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).