N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide

C21H17ClN2O2 — CID 102339443

IUPACN-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cccnc2Cl)c(-c2ccccc2)cc1C
InChIInChI=1S/C21H17ClN2O2/c1-13-11-18(15-7-4-3-5-8-15)19(12-17(13)14(2)25)24-21(26)16-9-6-10-23-20(16)22/h3-12H,1-2H3,(H,24,26)
InChIKeyVQLYCWSMSQUZEI-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.17
Rot. Bonds4

About N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide

N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide (PubChem CID 102339443) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide
PubChem CID102339443
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC NameN-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cccnc2Cl)c(-c2ccccc2)cc1C
InChIInChI=1S/C21H17ClN2O2/c1-13-11-18(15-7-4-3-5-8-15)19(12-17(13)14(2)25)24-21(26)16-9-6-10-23-20(16)22/h3-12H,1-2H3,(H,24,26)
InChIKeyVQLYCWSMSQUZEI-UHFFFAOYSA-N
XLogP5.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.17
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

2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
methyl 4-[(2-chloropyridine-3-carbonyl)amino]-3-methylbenzoate
CID 60722400
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60794828
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide (CID 102339443) is N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide is CC(=O)c1cc(NC(=O)c2cccnc2Cl)c(-c2ccccc2)cc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is VQLYCWSMSQUZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-13-11-18(15-7-4-3-5-8-15)19(12-17(13)14(2)25)24-21(26)16-9-6-10-23-20(16)22/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide?
N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-2-phenylphenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 102339443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).