N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H22N4O2 — CID 106361569

IUPACN-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1CO)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c19-7-9-3-1-2-4-10(9)18-14(20)12-5-11-13(6-15-12)17-8-16-11/h8-10,12,15,19H,1-7H2,(H,16,17)(H,18,20)
InChIKeyCJBSEXGLOMRNGI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.09
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106361569) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID106361569
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1CO)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c19-7-9-3-1-2-4-10(9)18-14(20)12-5-11-13(6-15-12)17-8-16-11/h8-10,12,15,19H,1-7H2,(H,16,17)(H,18,20)
InChIKeyCJBSEXGLOMRNGI-UHFFFAOYSA-N
XLogP0.09
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352892
N-(4,4-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353852
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132
3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)butanoic acid
CID 79354042
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 106116635
N-[4-(2-hydroxyethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352448
(2R)-N-[2-(hydroxymethyl)cyclohexyl]piperidine-2-carboxamide
CID 114178725
N-propan-2-ylsulfonyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 103307867
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352740
N-(2,3-dihydro-1-benzofuran-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352754
(2R)-N-[2-(hydroxymethyl)cyclopentyl]azetidine-2-carboxamide;hydrochloride
CID 130748048

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106361569) is N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NC1CCCCC1CO)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is CJBSEXGLOMRNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-7-9-3-1-2-4-10(9)18-14(20)12-5-11-13(6-15-12)17-8-16-11/h8-10,12,15,19H,1-7H2,(H,16,17)(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106361569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).