N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C11H16N2O2 — CID 103762776

IUPACN-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-7(2)8(3)13-11(15)9-4-5-12-10(14)6-9/h4-8H,1-3H3,(H,12,14)(H,13,15)
InChIKeyJKEAOOQUGYBECH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.15
Rot. Bonds3

About N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103762776) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103762776
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-7(2)8(3)13-11(15)9-4-5-12-10(14)6-9/h4-8H,1-3H3,(H,12,14)(H,13,15)
InChIKeyJKEAOOQUGYBECH-UHFFFAOYSA-N
XLogP1.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 75519384
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103762776) is N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is CC(C)C(C)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is JKEAOOQUGYBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)8(3)13-11(15)9-4-5-12-10(14)6-9/h4-8H,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103762776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).