2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide

C12H19N3O2 — CID 62102780

IUPAC2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)5-6-14-11(16)8-15-7-3-4-10(13)12(15)17/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16)
InChIKeyJKWPVPFHUNFYBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.59
Rot. Bonds5

About 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide

2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (PubChem CID 62102780) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
PubChem CID62102780
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)5-6-14-11(16)8-15-7-3-4-10(13)12(15)17/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16)
InChIKeyJKWPVPFHUNFYBL-UHFFFAOYSA-N
XLogP0.59
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (CID 62102780) is 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The InChIKey is JKWPVPFHUNFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)5-6-14-11(16)8-15-7-3-4-10(13)12(15)17/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62102780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).