3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

C22H27N5O2 — CID 176504166

IUPAC3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1cnc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C22H27N5O2/c28-15-18-7-4-9-26(13-18)10-8-23-22(29)19-11-20-21(24-12-19)27(16-25-20)14-17-5-2-1-3-6-17/h1-3,5-6,11-12,16,18,28H,4,7-10,13-15H2,(H,23,29)
InChIKeyZKOAPUZTCLTQNI-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.91
Rot. Bonds7

About 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide

3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504166) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504166
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCN1CCCC(CO)C1)c1cnc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C22H27N5O2/c28-15-18-7-4-9-26(13-18)10-8-23-22(29)19-11-20-21(24-12-19)27(16-25-20)14-17-5-2-1-3-6-17/h1-3,5-6,11-12,16,18,28H,4,7-10,13-15H2,(H,23,29)
InChIKeyZKOAPUZTCLTQNI-UHFFFAOYSA-N
XLogP1.91
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]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

Related Compounds

N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500918
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 176501949
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-1,3-benzothiazole-5-carboxamide
CID 56754635
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125155025
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176504166) is 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCCN1CCCC(CO)C1)c1cnc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZKOAPUZTCLTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-15-18-7-4-9-26(13-18)10-8-23-22(29)19-11-20-21(24-12-19)27(16-25-20)14-17-5-2-1-3-6-17/h1-3,5-6,11-12,16,18,28H,4,7-10,13-15H2,(H,23,29).
What are the key properties of 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).