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

C11H15N3O2 — CID 77389901

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)C(N)=O
InChIInChI=1S/C11H15N3O2/c1-7(2)9(10(12)15)14-11(16)8-3-5-13-6-4-8/h3-7,9H,1-2H3,(H2,12,15)(H,14,16)
InChIKeyXGAXZFALLUBCJK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds4

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

N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide (PubChem CID 77389901) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
PubChem CID77389901
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)C(N)=O
InChIInChI=1S/C11H15N3O2/c1-7(2)9(10(12)15)14-11(16)8-3-5-13-6-4-8/h3-7,9H,1-2H3,(H2,12,15)(H,14,16)
InChIKeyXGAXZFALLUBCJK-UHFFFAOYSA-N
XLogP0.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984
methyl (2S,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256624
methyl (2R,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256626
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide
CID 92864050
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-methylbenzamide
CID 113268975
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide (CID 77389901) is N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide is CC(C)C(NC(=O)c1ccncc1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide?
The InChIKey is XGAXZFALLUBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)9(10(12)15)14-11(16)8-3-5-13-6-4-8/h3-7,9H,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 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)pyridine-4-carboxamide is sourced from PubChem (CID 77389901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).