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

C15H15N5O — CID 79352004

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

N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79352004) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79352004
• Molecular Formula: C15H15N5O
• Molecular Weight: 281.32 g/mol
• Exact Mass: 281.13
• IUPAC Name: N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: N#Cc1cccc(CNC(=O)C2Cc3nc[nH]c3CN2)c1
• InChI: InChI=1S/C15H15N5O/c16-6-10-2-1-3-11(4-10)7-18-15(21)13-5-12-14(8-17-13)20-9-19-12/h1-4,9,13,17H,5,7-8H2,(H,18,21)(H,19,20)
• InChIKey: BNOWKQOWISEQJR-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 93.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.32
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79352004) is N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is N#Cc1cccc(CNC(=O)C2Cc3nc[nH]c3CN2)c1.

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

The InChIKey is BNOWKQOWISEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-6-10-2-1-3-11(4-10)7-18-15(21)13-5-12-14(8-17-13)20-9-19-12/h1-4,9,13,17H,5,7-8H2,(H,18,21)(H,19,20).

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

N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyanophenyl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79352004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).