N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C11H16N2O2 — CID 110698591

IUPACN-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-4-7(2)13-11(15)9-5-8(3)12-10(14)6-9/h5-7H,4H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyBLQQTIYGQSPETH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.21
Rot. Bonds3

About N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 110698591) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID110698591
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C11H16N2O2/c1-4-7(2)13-11(15)9-5-8(3)12-10(14)6-9/h5-7H,4H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyBLQQTIYGQSPETH-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
(2S)-2-[(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 126424544
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 104981474
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 95990031
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-cyclohexyl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698595
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110848497
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 110698591) is N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide is CCC(C)NC(=O)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BLQQTIYGQSPETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-7(2)13-11(15)9-5-8(3)12-10(14)6-9/h5-7H,4H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 110698591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).