N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H17N3O3 — CID 103696527

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C(N)=O)C(C)C)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-6(2)10(11(13)17)15-12(18)8-5-14-7(3)4-9(8)16/h4-6,10H,1-3H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyVCHCAXKGBAXUDM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.08
Rot. Bonds4

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696527) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696527
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C(N)=O)C(C)C)c[nH]1
InChIInChI=1S/C12H17N3O3/c1-6(2)10(11(13)17)15-12(18)8-5-14-7(3)4-9(8)16/h4-6,10H,1-3H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyVCHCAXKGBAXUDM-UHFFFAOYSA-N
XLogP-0.08
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247214
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
N-[(3R)-1-methoxy-4-methylpentan-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 97320787
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-(1-cyclopentylethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247219
methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 113429223
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
N-[1-(diethylamino)propan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718100
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419
6-methyl-N-(3-methyl-2-oxobutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 104860774

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103696527) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C(N)=O)C(C)C)c[nH]1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VCHCAXKGBAXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-6(2)10(11(13)17)15-12(18)8-5-14-7(3)4-9(8)16/h4-6,10H,1-3H3,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).