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

C21H18ClN3O2 — CID 109170839

IUPACN-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-8-18(9-7-15)25-21(27)16-10-11-23-20(12-16)24-13-17-4-2-3-5-19(17)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyWDKMIPRBXABNKM-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.80
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170839) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170839
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)15-6-8-18(9-7-15)25-21(27)16-10-11-23-20(12-16)24-13-17-4-2-3-5-19(17)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyWDKMIPRBXABNKM-UHFFFAOYSA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170837
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170821
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide (CID 109170839) is N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is WDKMIPRBXABNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)15-6-8-18(9-7-15)25-21(27)16-10-11-23-20(12-16)24-13-17-4-2-3-5-19(17)22/h2-12H,13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).