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

C13H20N4O3 — CID 81130290

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

N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 81130290) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 81130290
• Molecular Formula: C13H20N4O3
• Molecular Weight: 280.33 g/mol
• Exact Mass: 280.15
• IUPAC Name: N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: O=C(NCC1(O)CCOCC1)C1Cc2nc[nH]c2CN1
• InChI: InChI=1S/C13H20N4O3/c18-12(15-7-13(19)1-3-20-4-2-13)10-5-9-11(6-14-10)17-8-16-9/h8,10,14,19H,1-7H2,(H,15,18)(H,16,17)
• InChIKey: PIIVAFBRZWFMTO-UHFFFAOYSA-N
• XLogP: -0.92
• TPSA: 99.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.33
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 81130290) is N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(NCC1(O)CCOCC1)C1Cc2nc[nH]c2CN1.

What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is PIIVAFBRZWFMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-12(15-7-13(19)1-3-20-4-2-13)10-5-9-11(6-14-10)17-8-16-9/h8,10,14,19H,1-7H2,(H,15,18)(H,16,17).

What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-hydroxyoxan-4-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 81130290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).