N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide

C12H11N3O2 — CID 121016050

IUPACN-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(C)cc(C=O)nc2n1
InChIInChI=1S/C12H11N3O2/c1-7-5-9(6-16)14-12-10(7)3-4-11(15-12)13-8(2)17/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyDFSPGJHBECPJJX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.71
Rot. Bonds2

About N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide

N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide (PubChem CID 121016050) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide
PubChem CID121016050
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(C)cc(C=O)nc2n1
InChIInChI=1S/C12H11N3O2/c1-7-5-9(6-16)14-12-10(7)3-4-11(15-12)13-8(2)17/h3-6H,1-2H3,(H,13,14,15,17)
InChIKeyDFSPGJHBECPJJX-UHFFFAOYSA-N
XLogP1.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide?
The IUPAC name of N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide (CID 121016050) is N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide?
The canonical SMILES for N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide is CC(=O)Nc1ccc2c(C)cc(C=O)nc2n1.
What is the InChIKey of N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide?
The InChIKey is DFSPGJHBECPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-5-9(6-16)14-12-10(7)3-4-11(15-12)13-8(2)17/h3-6H,1-2H3,(H,13,14,15,17).
What are the key properties of N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide?
N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide has a molecular weight of 229.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-formyl-5-methyl-1,8-naphthyridin-2-yl)acetamide is sourced from PubChem (CID 121016050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).