3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide

C18H18N4O2 — CID 176506320

IUPAC3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CC(O)C1)c1cnc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c23-15-7-14(8-15)21-18(24)13-6-16-17(19-9-13)22(11-20-16)10-12-4-2-1-3-5-12/h1-6,9,11,14-15,23H,7-8,10H2,(H,21,24)
InChIKeyJBBUYORSTDAJMU-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.73
Rot. Bonds4

About 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide

3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506320) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506320
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NC1CC(O)C1)c1cnc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c23-15-7-14(8-15)21-18(24)13-6-16-17(19-9-13)22(11-20-16)10-12-4-2-1-3-5-12/h1-6,9,11,14-15,23H,7-8,10H2,(H,21,24)
InChIKeyJBBUYORSTDAJMU-UHFFFAOYSA-N
XLogP1.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 176501949
N-(1-benzylpyrrolidin-3-yl)-3-cyclopropylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506963
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
CID 175641787
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500082
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504391
4-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 176506848

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176506320) is 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide is O=C(NC1CC(O)C1)c1cnc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is JBBUYORSTDAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-15-7-14(8-15)21-18(24)13-6-16-17(19-9-13)22(11-20-16)10-12-4-2-1-3-5-12/h1-6,9,11,14-15,23H,7-8,10H2,(H,21,24).
What are the key properties of 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide?
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).