6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide

C12H16N2O3 — CID 104860774

IUPAC6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(=O)C(C)C)c[nH]1
InChIInChI=1S/C12H16N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyQRZZSUWHQZZHDJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.64
Rot. Bonds4

About 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 104860774) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID104860774
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(=O)C(C)C)c[nH]1
InChIInChI=1S/C12H16N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyQRZZSUWHQZZHDJ-UHFFFAOYSA-N
XLogP0.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide (CID 104860774) is 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(=O)C(C)C)c[nH]1.
What is the InChIKey of 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QRZZSUWHQZZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)11(16)6-14-12(17)9-5-13-8(3)4-10(9)15/h4-5,7H,6H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104860774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).