2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide

C12H19N3O2 — CID 82992568

IUPAC2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-9(2)14-12(17)8-15-6-5-11(16)10(13)7-15/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyDFIIEOINWVRJQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds5

About 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide

2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide (PubChem CID 82992568) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
PubChem CID82992568
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc(=O)c(N)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-9(2)14-12(17)8-15-6-5-11(16)10(13)7-15/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,17)
InChIKeyDFIIEOINWVRJQQ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
N-pentan-2-yl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403928
4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
CID 114038919
3-amino-1-heptylpyridin-4-one
CID 82990837
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
methyl 4-amino-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
2-[3-(aminomethyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66407322
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide (CID 82992568) is 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc(=O)c(N)c1.
What is the InChIKey of 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide?
The InChIKey is DFIIEOINWVRJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-9(2)14-12(17)8-15-6-5-11(16)10(13)7-15/h5-7,9H,3-4,8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide?
2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxo-1-pyridinyl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 82992568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).