N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide

C23H25N4O2+ — CID 136503779

IUPACN-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccc[n+]2O)n2ccccc12
InChIInChI=1S/C23H24N4O2/c28-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)20-18-5-1-3-7-26(18)21(24-20)19-6-2-4-8-27(19)29/h1-8,15-17H,9-14H2,(H-,24,25,28,29)/p+1
InChIKeyGLWKORZXDLOWQM-UHFFFAOYSA-O
MW389.48 g/mol
LogP3.22
Rot. Bonds3

About N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide

N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 136503779) has the molecular formula C23H25N4O2+ and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID136503779
Molecular FormulaC23H25N4O2+
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC NameN-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccc[n+]2O)n2ccccc12
InChIInChI=1S/C23H24N4O2/c28-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)20-18-5-1-3-7-26(18)21(24-20)19-6-2-4-8-27(19)29/h1-8,15-17H,9-14H2,(H-,24,25,28,29)/p+1
InChIKeyGLWKORZXDLOWQM-UHFFFAOYSA-O
XLogP3.22
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyl)-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70943990
N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide
CID 70943994
N-(1-adamantyl)-3-(2,3,4-trifluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171930984
N-(1-adamantyl)-3-(2-fluorophenoxy)imidazo[1,5-a]pyridine-1-carboxamide
CID 70944077
N-(1-adamantyl)-3-cyclopropylimidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171930965
N-(1-adamantyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide;3-hydroxybenzonitrile
CID 160794891
N-(1-adamantyl)-1-(2-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 69005872
N-(1-adamantyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928969
N-(1-adamantyl)-1-pyridin-3-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87650722
5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
CID 124518899
3-morpholin-4-yl-N-(1-tetracyclo[5.3.1.03,9.05,9]undecanyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70944087
N-(1-adamantyl)cyclohepta[c]pyrazole-3-carboxamide
CID 68962155

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 136503779) is N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccc[n+]2O)n2ccccc12.
What is the InChIKey of N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is GLWKORZXDLOWQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N4O2/c28-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)20-18-5-1-3-7-26(18)21(24-20)19-6-2-4-8-27(19)29/h1-8,15-17H,9-14H2,(H-,24,25,28,29)/p+1.
What are the key properties of N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(1-hydroxypyridin-1-ium-2-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 136503779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).