N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C19H21ClN4O2+2 — CID 58023816

IUPACN-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12
InChIInChI=1S/C19H19ClN4O2/c20-15-5-3-4-14(12-15)13-21-18(25)17-16-6-1-2-7-24(16)19(22-17)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,21,25)/p+2
InChIKeyNXVPRWSUAJAWNR-UHFFFAOYSA-P
MW372.86 g/mol
LogP0.88
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023816) has the molecular formula C19H21ClN4O2+2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023816
Molecular FormulaC19H21ClN4O2+2
Molecular Weight372.86 g/mol
Exact Mass372.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12
InChIInChI=1S/C19H19ClN4O2/c20-15-5-3-4-14(12-15)13-21-18(25)17-16-6-1-2-7-24(16)19(22-17)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,21,25)/p+2
InChIKeyNXVPRWSUAJAWNR-UHFFFAOYSA-P
XLogP0.88
TPSA62.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-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

Related Compounds

N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023287
N-(3,3-dimethylbutan-2-yl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide;bis(2,2,2-trifluoroacetate)
CID 87651490
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
3-(3-chlorophenyl)-N-[(5-methylpyrazin-1-ium-2-yl)methyl]-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023309
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
(5S)-5-(1H-benzimidazol-2-ylmethyl)-N-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95166875
N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
CID 134349573
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023816) is N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is O=C(NCc1cccc(Cl)c1)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is NXVPRWSUAJAWNR-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-5-3-4-14(12-15)13-21-18(25)17-16-6-1-2-7-24(16)19(22-17)23-8-10-26-11-9-23/h1-7,12H,8-11,13H2,(H,21,25)/p+2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).