3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C19H13N6O+ — CID 58023974

IUPAC3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESN#Cc1ccccc1-c1[nH]c(C(=O)Nc2ccncn2)c2cccc[n+]12
InChIInChI=1S/C19H12N6O/c20-11-13-5-1-2-6-14(13)18-24-17(15-7-3-4-10-25(15)18)19(26)23-16-8-9-21-12-22-16/h1-10,12H,(H,21,22,23,26)/p+1
InChIKeyXXBXPUDQYNLYJK-UHFFFAOYSA-O
MW341.35 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023974) has the molecular formula C19H13N6O+ and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023974
Molecular FormulaC19H13N6O+
Molecular Weight341.35 g/mol
Exact Mass341.11
IUPAC Name3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESN#Cc1ccccc1-c1[nH]c(C(=O)Nc2ccncn2)c2cccc[n+]12
InChIInChI=1S/C19H12N6O/c20-11-13-5-1-2-6-14(13)18-24-17(15-7-3-4-10-25(15)18)19(26)23-16-8-9-21-12-22-16/h1-10,12H,(H,21,22,23,26)/p+1
InChIKeyXXBXPUDQYNLYJK-UHFFFAOYSA-O
XLogP2.33
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023974) is 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is N#Cc1ccccc1-c1[nH]c(C(=O)Nc2ccncn2)c2cccc[n+]12.
What is the InChIKey of 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is XXBXPUDQYNLYJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H12N6O/c20-11-13-5-1-2-6-14(13)18-24-17(15-7-3-4-10-25(15)18)19(26)23-16-8-9-21-12-22-16/h1-10,12H,(H,21,22,23,26)/p+1.
What are the key properties of 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N-pyrimidin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).