N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C19H28N4O2 — CID 23723201

IUPACN-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1CO
InChIInChI=1S/C19H28N4O2/c1-3-4-10-21(2)19(25)18-16(13-22-11-7-8-15(22)14-24)23-12-6-5-9-17(23)20-18/h5-6,9,12,15,24H,3-4,7-8,10-11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyHFEZZILNVQBMTD-HNNXBMFYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds7

About N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 23723201) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID23723201
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1CO
InChIInChI=1S/C19H28N4O2/c1-3-4-10-21(2)19(25)18-16(13-22-11-7-8-15(22)14-24)23-12-6-5-9-17(23)20-18/h5-6,9,12,15,24H,3-4,7-8,10-11,13-14H2,1-2H3/t15-/m0/s1
InChIKeyHFEZZILNVQBMTD-HNNXBMFYSA-N
XLogP2.16
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-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-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 23723201) is N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCC[C@H]1CO.
What is the InChIKey of N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HFEZZILNVQBMTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-4-10-21(2)19(25)18-16(13-22-11-7-8-15(22)14-24)23-12-6-5-9-17(23)20-18/h5-6,9,12,15,24H,3-4,7-8,10-11,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 23723201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).