2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide

C17H20N2O2 — CID 110649311

IUPAC2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-2-3-7-11-18-16(20)15-14(10-12-19-17(15)21)13-8-5-4-6-9-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRPJJLLWQYQPELE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.96
Rot. Bonds6

About 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide

2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide (PubChem CID 110649311) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
PubChem CID110649311
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-2-3-7-11-18-16(20)15-14(10-12-19-17(15)21)13-8-5-4-6-9-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRPJJLLWQYQPELE-UHFFFAOYSA-N
XLogP2.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683747
ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 110651274
N-butyl-2-phenylbenzamide
CID 21064565
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
N-(3-methylphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 110649588
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
N-butyl-4-phenylbenzamide
CID 3637649
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
3-acetyl-4-pentyl-1H-pyridin-2-one
CID 154981968
1H-azepine;N-pentylbenzamide
CID 175240845
N-dodecyl-2,2-diphenylacetamide
CID 5143289

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide (CID 110649311) is 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide is CCCCCNC(=O)c1c(-c2ccccc2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is RPJJLLWQYQPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-7-11-18-16(20)15-14(10-12-19-17(15)21)13-8-5-4-6-9-13/h4-6,8-10,12H,2-3,7,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide?
2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110649311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).