3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide

C9H13N3O2 — CID 82991583

IUPAC3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide
SMILESCNC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H13N3O2/c1-11-9(14)3-5-12-4-2-8(13)7(10)6-12/h2,4,6H,3,5,10H2,1H3,(H,11,14)
InChIKeyYUPHHCZECPGWLR-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.43
Rot. Bonds3

About 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide

3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide (PubChem CID 82991583) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide
PubChem CID82991583
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide
SMILESCNC(=O)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H13N3O2/c1-11-9(14)3-5-12-4-2-8(13)7(10)6-12/h2,4,6H,3,5,10H2,1H3,(H,11,14)
InChIKeyYUPHHCZECPGWLR-UHFFFAOYSA-N
XLogP-0.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide?
The IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide (CID 82991583) is 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide is CNC(=O)CCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide?
The InChIKey is YUPHHCZECPGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-9(14)3-5-12-4-2-8(13)7(10)6-12/h2,4,6H,3,5,10H2,1H3,(H,11,14).
What are the key properties of 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide?
3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide has a molecular weight of 195.22 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-oxo-1-pyridinyl)-N-methylpropanamide is sourced from PubChem (CID 82991583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).