N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide

C22H27N3O3 — CID 86718177

IUPACN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C22H27N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h5-10,12-13,18,26H,3-4,11,14-15H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyUYILMLQAJLSKGT-GOSISDBHSA-N
MW381.48 g/mol
LogP3.50
Rot. Bonds9

About N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide

N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86718177) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86718177
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C22H27N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h5-10,12-13,18,26H,3-4,11,14-15H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyUYILMLQAJLSKGT-GOSISDBHSA-N
XLogP3.50
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-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-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 86718177) is N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide is CCCC[C@H](CO)NC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12.
What is the InChIKey of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UYILMLQAJLSKGT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-4-11-18(14-26)24-22(27)20-16(2)23-21-19(12-8-13-25(20)21)28-15-17-9-6-5-7-10-17/h5-10,12-13,18,26H,3-4,11,14-15H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide?
N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyhexan-2-yl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86718177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).