N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide

C16H17ClN2O2 — CID 60708849

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(21)12-5-8-14(20)18-9-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHVTBSYOQVGJWOV-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 60708849) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID60708849
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(21)12-5-8-14(20)18-9-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHVTBSYOQVGJWOV-UHFFFAOYSA-N
XLogP3.16
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide (CID 60708849) is N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide is CC(C)C(NC(=O)c1ccc(=O)[nH]c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HVTBSYOQVGJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10(2)15(11-3-6-13(17)7-4-11)19-16(21)12-5-8-14(20)18-9-12/h3-10,15H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60708849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).