N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C16H20N4O — CID 81367728

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

N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 81367728) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 81367728
• Molecular Formula: C16H20N4O
• Molecular Weight: 284.36 g/mol
• Exact Mass: 284.16
• IUPAC Name: N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: Cc1cccc([C@@H](C)NC(=O)C2Cc3nc[nH]c3CN2)c1
• InChI: InChI=1S/C16H20N4O/c1-10-4-3-5-12(6-10)11(2)20-16(21)14-7-13-15(8-17-14)19-9-18-13/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,14?/m1/s1
• InChIKey: JWXKZUSQUHHUBF-YNODCEANSA-N
• XLogP: 1.61
• TPSA: 69.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.36
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 81367728) is N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is Cc1cccc([C@@H](C)NC(=O)C2Cc3nc[nH]c3CN2)c1.

What is the InChIKey of N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is JWXKZUSQUHHUBF-YNODCEANSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-4-3-5-12(6-10)11(2)20-16(21)14-7-13-15(8-17-14)19-9-18-13/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t11-,14?/m1/s1.

What are the key properties of N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-methylphenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 81367728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).