3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

C19H18N5O+ — CID 123559067

IUPAC3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccnc1)C1=C2C=CC=CN2C(Cc2ccc[nH+]c2)N1
InChIInChI=1S/C19H17N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13,17,23H,11H2,(H,22,25)/p+1
InChIKeyOCNHFGGLCGUHIR-UHFFFAOYSA-O
MW332.39 g/mol
LogP1.60
Rot. Bonds4

About 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide

3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 123559067) has the molecular formula C19H18N5O+ and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID123559067
Molecular FormulaC19H18N5O+
Molecular Weight332.39 g/mol
Exact Mass332.15
IUPAC Name3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1cccnc1)C1=C2C=CC=CN2C(Cc2ccc[nH+]c2)N1
InChIInChI=1S/C19H17N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13,17,23H,11H2,(H,22,25)/p+1
InChIKeyOCNHFGGLCGUHIR-UHFFFAOYSA-O
XLogP1.60
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-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-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide (CID 123559067) is 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(Nc1cccnc1)C1=C2C=CC=CN2C(Cc2ccc[nH+]c2)N1.
What is the InChIKey of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OCNHFGGLCGUHIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N5O/c25-19(22-15-6-4-9-21-13-15)18-16-7-1-2-10-24(16)17(23-18)11-14-5-3-8-20-12-14/h1-10,12-13,17,23H,11H2,(H,22,25)/p+1.
What are the key properties of 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-1-ium-3-ylmethyl)-N-pyridin-3-yl-2,3-dihydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 123559067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).