6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide

C17H19ClN2O2 — CID 66497759

IUPAC6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H19ClN2O2/c1-2-3-4-11-19-16(21)14-9-10-15(20-17(14)22)12-5-7-13(18)8-6-12/h5-10H,2-4,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWAVDROAZQLKLEF-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.62
Rot. Bonds6

About 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide

6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide (PubChem CID 66497759) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
PubChem CID66497759
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H19ClN2O2/c1-2-3-4-11-19-16(21)14-9-10-15(20-17(14)22)12-5-7-13(18)8-6-12/h5-10H,2-4,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWAVDROAZQLKLEF-UHFFFAOYSA-N
XLogP3.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.62
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

6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
2-[[6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 125473172
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 125491202
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
6-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497325
N-[3-(furan-2-yl)propyl]-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497528
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
N-butyl-4-chloro-2-iodobenzamide
CID 172647444

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide (CID 66497759) is 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide is CCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide?
The InChIKey is WAVDROAZQLKLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-3-4-11-19-16(21)14-9-10-15(20-17(14)22)12-5-7-13(18)8-6-12/h5-10H,2-4,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide?
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).