2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide

C12H19N3O2 — CID 119782695

IUPAC2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-8(2)10(13)11(16)14-9-6-5-7-15(3)12(9)17/h5-8,10H,4,13H2,1-3H3,(H,14,16)
InChIKeyPPHQMVCTMCKRCD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds4

About 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide

2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide (PubChem CID 119782695) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
PubChem CID119782695
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-8(2)10(13)11(16)14-9-6-5-7-15(3)12(9)17/h5-8,10H,4,13H2,1-3H3,(H,14,16)
InChIKeyPPHQMVCTMCKRCD-UHFFFAOYSA-N
XLogP0.70
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
CID 119752267
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 97317767
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide (CID 119782695) is 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide is CCC(C)C(N)C(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide?
The InChIKey is PPHQMVCTMCKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-8(2)10(13)11(16)14-9-6-5-7-15(3)12(9)17/h5-8,10H,4,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide?
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide is sourced from PubChem (CID 119782695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).