3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

C26H42N6O2 — CID 46942624

IUPAC3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C26H42N6O2/c1-6-22-26(31(16-12-20(2)3)18-17-29(4)5)32-19-21(10-11-23(32)28-22)25(34)27-13-8-15-30-14-7-9-24(30)33/h10-11,19-20H,6-9,12-18H2,1-5H3,(H,27,34)
InChIKeyLQOGFTRJYOPBCD-UHFFFAOYSA-N
MW470.66 g/mol
LogP3.05
Rot. Bonds13

About 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942624) has the molecular formula C26H42N6O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942624
Molecular FormulaC26H42N6O2
Molecular Weight470.66 g/mol
Exact Mass470.34
IUPAC Name3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CCC(C)C)CCN(C)C
InChIInChI=1S/C26H42N6O2/c1-6-22-26(31(16-12-20(2)3)18-17-29(4)5)32-19-21(10-11-23(32)28-22)25(34)27-13-8-15-30-14-7-9-24(30)33/h10-11,19-20H,6-9,12-18H2,1-5H3,(H,27,34)
InChIKeyLQOGFTRJYOPBCD-UHFFFAOYSA-N
XLogP3.05
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]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 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46942624) is 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CCC(C)C)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LQOGFTRJYOPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N6O2/c1-6-22-26(31(16-12-20(2)3)18-17-29(4)5)32-19-21(10-11-23(32)28-22)25(34)27-13-8-15-30-14-7-9-24(30)33/h10-11,19-20H,6-9,12-18H2,1-5H3,(H,27,34).
What are the key properties of 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 470.66 g/mol, XLogP of 3.05, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]-2-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).