N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H18N4O2 — CID 79354196

IUPACN-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCOC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H18N4O2/c17-12(16-8-2-1-3-18-6-8)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,1-6H2,(H,14,15)(H,16,17)
InChIKeyOMDNKPUXLPMTQA-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.28
Rot. Bonds2

About N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354196) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354196
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NC1CCCOC1)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H18N4O2/c17-12(16-8-2-1-3-18-6-8)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,1-6H2,(H,14,15)(H,16,17)
InChIKeyOMDNKPUXLPMTQA-UHFFFAOYSA-N
XLogP-0.28
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354196) is N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NC1CCCOC1)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is OMDNKPUXLPMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(16-8-2-1-3-18-6-8)10-4-9-11(5-13-10)15-7-14-9/h7-8,10,13H,1-6H2,(H,14,15)(H,16,17).
What are the key properties of N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).