5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

C21H18ClN3O2 — CID 50846337

IUPAC5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2cncc(C(=O)NCc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)25-20-7-3-5-16(10-20)17-9-18(13-23-12-17)21(27)24-11-15-4-2-6-19(22)8-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyDTIMPMXPTSQNAC-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.29
Rot. Bonds5

About 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide

5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 50846337) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID50846337
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2cncc(C(=O)NCc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C21H18ClN3O2/c1-14(26)25-20-7-3-5-16(10-20)17-9-18(13-23-12-17)21(27)24-11-15-4-2-6-19(22)8-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,26)
InChIKeyDTIMPMXPTSQNAC-UHFFFAOYSA-N
XLogP4.29
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117087550

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide (CID 50846337) is 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is CC(=O)Nc1cccc(-c2cncc(C(=O)NCc3cccc(Cl)c3)c2)c1.
What is the InChIKey of 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is DTIMPMXPTSQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(26)25-20-7-3-5-16(10-20)17-9-18(13-23-12-17)21(27)24-11-15-4-2-6-19(22)8-15/h2-10,12-13H,11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide?
5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 50846337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).