N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide

C25H36N4O — CID 70897274

IUPACN,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2ncc(C#CCN3CCCC3)n2c1
InChIInChI=1S/C25H36N4O/c1-20(2)11-16-28(17-12-21(3)4)25(30)22-9-10-24-26-18-23(29(24)19-22)8-7-15-27-13-5-6-14-27/h9-10,18-21H,5-6,11-17H2,1-4H3
InChIKeyBHFODRJUSATRME-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.32
Rot. Bonds8

About N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide

N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 70897274) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID70897274
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2ncc(C#CCN3CCCC3)n2c1
InChIInChI=1S/C25H36N4O/c1-20(2)11-16-28(17-12-21(3)4)25(30)22-9-10-24-26-18-23(29(24)19-22)8-7-15-27-13-5-6-14-27/h9-10,18-21H,5-6,11-17H2,1-4H3
InChIKeyBHFODRJUSATRME-UHFFFAOYSA-N
XLogP4.32
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 70897274) is N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc2ncc(C#CCN3CCCC3)n2c1.
What is the InChIKey of N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is BHFODRJUSATRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-20(2)11-16-28(17-12-21(3)4)25(30)22-9-10-24-26-18-23(29(24)19-22)8-7-15-27-13-5-6-14-27/h9-10,18-21H,5-6,11-17H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide?
N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylprop-1-ynyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 70897274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).