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

C21H18ClN3O2 — CID 109211919

IUPACN-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)20-12-18(9-10-23-20)24-13-15-5-7-17(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyRNVITLOMIKQOEE-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.80
Rot. Bonds6

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

N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109211919) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109211919
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)20-12-18(9-10-23-20)24-13-15-5-7-17(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27)
InChIKeyRNVITLOMIKQOEE-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-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
4-[(4-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109211927
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211561
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide (CID 109211919) is N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is RNVITLOMIKQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)20-12-18(9-10-23-20)24-13-15-5-7-17(22)8-6-15/h2-12H,13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide?
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-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-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109211919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).