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

C22H21N4O2+ — CID 58023663

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1[nH]c(-c2ccncc2)c2cccc[n+]12
InChIInChI=1S/C22H20N4O2/c1-28-19-8-3-2-6-16(19)11-14-24-22(27)21-25-20(17-9-12-23-13-10-17)18-7-4-5-15-26(18)21/h2-10,12-13,15H,11,14H2,1H3,(H,24,27)/p+1
InChIKeyUYDBNHWJGXMNJR-UHFFFAOYSA-O
MW373.44 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (PubChem CID 58023663) has the molecular formula C22H21N4O2+ and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
PubChem CID58023663
Molecular FormulaC22H21N4O2+
Molecular Weight373.44 g/mol
Exact Mass373.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1[nH]c(-c2ccncc2)c2cccc[n+]12
InChIInChI=1S/C22H20N4O2/c1-28-19-8-3-2-6-16(19)11-14-24-22(27)21-25-20(17-9-12-23-13-10-17)18-7-4-5-15-26(18)21/h2-10,12-13,15H,11,14H2,1H3,(H,24,27)/p+1
InChIKeyUYDBNHWJGXMNJR-UHFFFAOYSA-O
XLogP2.80
TPSA71.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide
CID 58023881
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
N-[2-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261354
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 39431668
N-[2-(2-methoxyphenyl)ethyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109236583
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide (CID 58023663) is N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is COc1ccccc1CCNC(=O)c1[nH]c(-c2ccncc2)c2cccc[n+]12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
The InChIKey is UYDBNHWJGXMNJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20N4O2/c1-28-19-8-3-2-6-16(19)11-14-24-22(27)21-25-20(17-9-12-23-13-10-17)18-7-4-5-15-26(18)21/h2-10,12-13,15H,11,14H2,1H3,(H,24,27)/p+1.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-pyridin-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-carboxamide is sourced from PubChem (CID 58023663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).