N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H22N4O2 — CID 79353787

IUPACN-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c19-13(16-8-14(20)4-2-1-3-5-14)11-6-10-12(7-15-11)18-9-17-10/h9,11,15,20H,1-8H2,(H,16,19)(H,17,18)
InChIKeyALZRUFHXVDHWCG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.24
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79353787) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79353787
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c19-13(16-8-14(20)4-2-1-3-5-14)11-6-10-12(7-15-11)18-9-17-10/h9,11,15,20H,1-8H2,(H,16,19)(H,17,18)
InChIKeyALZRUFHXVDHWCG-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79353787) is N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCC1(O)CCCCC1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is ALZRUFHXVDHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13(16-8-14(20)4-2-1-3-5-14)11-6-10-12(7-15-11)18-9-17-10/h9,11,15,20H,1-8H2,(H,16,19)(H,17,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79353787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).