N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C11H16N2O3 — CID 62612412

IUPACN-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O3/c1-8(5-6-16-2)13-11(15)9-3-4-10(14)12-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyKGALLSGSHKEPGJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.53
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 62612412) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID62612412
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O3/c1-8(5-6-16-2)13-11(15)9-3-4-10(14)12-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyKGALLSGSHKEPGJ-UHFFFAOYSA-N
XLogP0.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114211336
N-[1-(4-fluorophenyl)propan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60794170
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748
N-but-3-yn-2-yl-6-oxo-1H-pyridine-3-carboxamide
CID 114389718
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
N-[(2S)-4-methoxybutan-2-yl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907038

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 62612412) is N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is COCCC(C)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KGALLSGSHKEPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(5-6-16-2)13-11(15)9-3-4-10(14)12-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62612412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).