3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

C13H15N3O — CID 91675306

IUPAC3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC1CCn2c(nc3cc(C(N)=O)ccc32)C1
InChIInChI=1S/C13H15N3O/c1-8-4-5-16-11-3-2-9(13(14)17)7-10(11)15-12(16)6-8/h2-3,7-8H,4-6H2,1H3,(H2,14,17)
InChIKeyUEGNCVYRKPIPOR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds1

About 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide

3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (PubChem CID 91675306) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
PubChem CID91675306
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
SMILESCC1CCn2c(nc3cc(C(N)=O)ccc32)C1
InChIInChI=1S/C13H15N3O/c1-8-4-5-16-11-3-2-9(13(14)17)7-10(11)15-12(16)6-8/h2-3,7-8H,4-6H2,1H3,(H2,14,17)
InChIKeyUEGNCVYRKPIPOR-UHFFFAOYSA-N
XLogP1.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide 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 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The IUPAC name of 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide (CID 91675306) is 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide.
What is the SMILES notation for 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The canonical SMILES for 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is CC1CCn2c(nc3cc(C(N)=O)ccc32)C1.
What is the InChIKey of 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
The InChIKey is UEGNCVYRKPIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-5-16-11-3-2-9(13(14)17)7-10(11)15-12(16)6-8/h2-3,7-8H,4-6H2,1H3,(H2,14,17).
What are the key properties of 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide?
3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide is sourced from PubChem (CID 91675306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).