6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide

C17H20N2O2 — CID 60630583

IUPAC6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)19-17(21)14-8-11-16(20)18-12-14/h6-12H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyUDQQADHCEUAYBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.36
Rot. Bonds6

About 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide

6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 60630583) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
PubChem CID60630583
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)19-17(21)14-8-11-16(20)18-12-14/h6-12H,2-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyUDQQADHCEUAYBN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzamide
CID 134055766
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
CID 63524950
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide (CID 60630583) is 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide is CCCCCc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is UDQQADHCEUAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)19-17(21)14-8-11-16(20)18-12-14/h6-12H,2-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60630583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).