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

C15H24N4O2 — CID 79352892

IUPACN-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCCC1CO)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H24N4O2/c20-8-11-4-2-1-3-10(11)6-17-15(21)13-5-12-14(7-16-13)19-9-18-12/h9-11,13,16,20H,1-8H2,(H,17,21)(H,18,19)
InChIKeyBMBZAEDBWKBXGQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.34
Rot. Bonds4

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

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352892) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79352892
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCCC1CO)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H24N4O2/c20-8-11-4-2-1-3-10(11)6-17-15(21)13-5-12-14(7-16-13)19-9-18-12/h9-11,13,16,20H,1-8H2,(H,17,21)(H,18,19)
InChIKeyBMBZAEDBWKBXGQ-UHFFFAOYSA-N
XLogP0.34
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352892) is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCC1CCCCC1CO)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is BMBZAEDBWKBXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-8-11-4-2-1-3-10(11)6-17-15(21)13-5-12-14(7-16-13)19-9-18-12/h9-11,13,16,20H,1-8H2,(H,17,21)(H,18,19).
What are the key properties of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).