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

C17H26N4O2+2 — CID 58023287

IUPACN-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCC(C)(C)CNC(=O)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12
InChIInChI=1S/C17H24N4O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20/h4-7H,8-12H2,1-3H3,(H,18,22)/p+2
InChIKeyQXDVEOSYNCZNLR-UHFFFAOYSA-P
MW318.42 g/mol
LogP0.08
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (PubChem CID 58023287) has the molecular formula C17H26N4O2+2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
PubChem CID58023287
Molecular FormulaC17H26N4O2+2
Molecular Weight318.42 g/mol
Exact Mass318.20
IUPAC NameN-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
SMILESCC(C)(C)CNC(=O)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12
InChIInChI=1S/C17H24N4O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20/h4-7H,8-12H2,1-3H3,(H,18,22)/p+2
InChIKeyQXDVEOSYNCZNLR-UHFFFAOYSA-P
XLogP0.08
TPSA62.66 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.08
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 N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide (CID 58023287) is N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is CC(C)(C)CNC(=O)c1[nH]c([NH+]2CCOCC2)[n+]2ccccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
The InChIKey is QXDVEOSYNCZNLR-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)12-18-15(22)14-13-6-4-5-7-21(13)16(19-14)20-8-10-23-11-9-20/h4-7H,8-12H2,1-3H3,(H,18,22)/p+2.
What are the key properties of N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide?
N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-morpholin-4-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide is sourced from PubChem (CID 58023287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).