N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C12H18N2O2 — CID 103839182

IUPACN-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)6-9(3)14-12(16)10-4-5-13-11(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOPUXONPFUPDOBY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.54
Rot. Bonds4

About N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103839182) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103839182
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)CC(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)6-9(3)14-12(16)10-4-5-13-11(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOPUXONPFUPDOBY-UHFFFAOYSA-N
XLogP1.54
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576
methyl 3-[[4-(2-oxo-1H-pyridin-4-yl)benzoyl]amino]butanoate
CID 142717826
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103839182) is N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is CC(C)CC(C)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is OPUXONPFUPDOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)6-9(3)14-12(16)10-4-5-13-11(15)7-10/h4-5,7-9H,6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103839182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).