N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C15H20N4O2 — CID 110013002

IUPACN-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CCC(CO)CC3)cnc21
InChIInChI=1S/C15H20N4O2/c1-19-9-17-13-6-11(7-16-14(13)19)15(21)18-12-4-2-10(8-20)3-5-12/h6-7,9-10,12,20H,2-5,8H2,1H3,(H,18,21)
InChIKeyINKKAEZZTQLPHI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds3

About N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 110013002) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID110013002
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CCC(CO)CC3)cnc21
InChIInChI=1S/C15H20N4O2/c1-19-9-17-13-6-11(7-16-14(13)19)15(21)18-12-4-2-10(8-20)3-5-12/h6-7,9-10,12,20H,2-5,8H2,1H3,(H,18,21)
InChIKeyINKKAEZZTQLPHI-UHFFFAOYSA-N
XLogP1.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]cyclohexyl]carbamate
CID 75451047
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 167954245
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 110013002) is N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NC3CCC(CO)CC3)cnc21.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is INKKAEZZTQLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-9-17-13-6-11(7-16-14(13)19)15(21)18-12-4-2-10(8-20)3-5-12/h6-7,9-10,12,20H,2-5,8H2,1H3,(H,18,21).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 110013002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).