N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C24H24N4O2 — CID 154862845

IUPACN-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1ccc(C(O)CN(Cc2ccccc2)C(=O)c2cnc3nc[nH]c3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-17-8-10-19(11-9-17)22(29)15-28(14-18-6-4-3-5-7-18)24(30)20-12-21-23(25-13-20)27-16-26-21/h3-13,16,22,29H,2,14-15H2,1H3,(H,25,26,27)
InChIKeyMRMGTQKLCPRHBZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.90
Rot. Bonds7

About N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 154862845) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID154862845
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCc1ccc(C(O)CN(Cc2ccccc2)C(=O)c2cnc3nc[nH]c3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-17-8-10-19(11-9-17)22(29)15-28(14-18-6-4-3-5-7-18)24(30)20-12-21-23(25-13-20)27-16-26-21/h3-13,16,22,29H,2,14-15H2,1H3,(H,25,26,27)
InChIKeyMRMGTQKLCPRHBZ-UHFFFAOYSA-N
XLogP3.90
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
N-benzyl-6-(cyclopropylamino)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 97072122
methyl 1H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71433321
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
N-butan-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110848509
N-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110851982
N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 71854734
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
N-benzyl-N-[2-[6-[[(Z)-but-2-en-2-yl]-ethylamino]-3-pyridinyl]-2-hydroxyethyl]-2-chloroacetamide
CID 143143486
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 154862845) is N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CCc1ccc(C(O)CN(Cc2ccccc2)C(=O)c2cnc3nc[nH]c3c2)cc1.
What is the InChIKey of N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MRMGTQKLCPRHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-17-8-10-19(11-9-17)22(29)15-28(14-18-6-4-3-5-7-18)24(30)20-12-21-23(25-13-20)27-16-26-21/h3-13,16,22,29H,2,14-15H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-ethylphenyl)-2-hydroxyethyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 154862845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).