6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide

C22H19ClN2O2 — CID 167602608

IUPAC6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
SMILESO=C(CCc1ccccc1)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-21-8-4-7-20(25-21)22(27)24-18-12-9-17(10-13-18)15-19(26)14-11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2,(H,24,27)
InChIKeyXTDGVJTWPHHKEB-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.73
Rot. Bonds7

About 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide

6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide (PubChem CID 167602608) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
PubChem CID167602608
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
SMILESO=C(CCc1ccccc1)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-21-8-4-7-20(25-21)22(27)24-18-12-9-17(10-13-18)15-19(26)14-11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2,(H,24,27)
InChIKeyXTDGVJTWPHHKEB-UHFFFAOYSA-N
XLogP4.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
N-[4-(2-oxo-4-phenylbutyl)phenyl]propanamide
CID 157140681
N-[4-(3-amino-3-oxopropyl)phenyl]pyridine-2-carboxamide
CID 175723689
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
N-[4-(2-oxo-4-phenylbutyl)phenyl]-2-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 158652838
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
2-N,6-N-bis(1-benzylpyridin-1-ium-4-yl)pyridine-2,6-dicarboxamide
CID 135336241
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
6-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673906
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide (CID 167602608) is 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide is O=C(CCc1ccccc1)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide?
The InChIKey is XTDGVJTWPHHKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-21-8-4-7-20(25-21)22(27)24-18-12-9-17(10-13-18)15-19(26)14-11-16-5-2-1-3-6-16/h1-10,12-13H,11,14-15H2,(H,24,27).
What are the key properties of 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide?
6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 167602608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).