3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

C16H22N3O2+ — CID 58023786

IUPAC3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCC(C)(CO)CNC(=O)c1[nH]c(C2CC2)[n+]2ccccc12
InChIInChI=1S/C16H21N3O2/c1-16(2,10-20)9-17-15(21)13-12-5-3-4-8-19(12)14(18-13)11-6-7-11/h3-5,8,11,20H,6-7,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyNRWARMISTKLDDJ-UHFFFAOYSA-O
MW288.37 g/mol
LogP1.38
Rot. Bonds5

About 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide

3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023786) has the molecular formula C16H22N3O2+ and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023786
Molecular FormulaC16H22N3O2+
Molecular Weight288.37 g/mol
Exact Mass288.17
IUPAC Name3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCC(C)(CO)CNC(=O)c1[nH]c(C2CC2)[n+]2ccccc12
InChIInChI=1S/C16H21N3O2/c1-16(2,10-20)9-17-15(21)13-12-5-3-4-8-19(12)14(18-13)11-6-7-11/h3-5,8,11,20H,6-7,9-10H2,1-2H3,(H,17,21)/p+1
InChIKeyNRWARMISTKLDDJ-UHFFFAOYSA-O
XLogP1.38
TPSA69.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023786) is 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is CC(C)(CO)CNC(=O)c1[nH]c(C2CC2)[n+]2ccccc12.
What is the InChIKey of 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is NRWARMISTKLDDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,10-20)9-17-15(21)13-12-5-3-4-8-19(12)14(18-13)11-6-7-11/h3-5,8,11,20H,6-7,9-10H2,1-2H3,(H,17,21)/p+1.
What are the key properties of 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-hydroxy-2,2-dimethylpropyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).