N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C24H27N5O2 — CID 156575281

About N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 156575281) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 156575281
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cc1c(NC=O)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(C)C3)c1C
• InChI: InChI=1S/C24H27N5O2/c1-15-17(7-5-9-19(15)25-14-30)18-8-6-10-20(16(18)2)27-24(31)23-26-21-13-28(3)12-11-22(21)29(23)4/h5-10,14H,11-13H2,1-4H3,(H,25,30)(H,27,31)
• InChIKey: ZYIVWJGJUIDQDJ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 156575281) is N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1c(NC=O)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(C)C3)c1C.

What is the InChIKey of N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is ZYIVWJGJUIDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-17(7-5-9-19(15)25-14-30)18-8-6-10-20(16(18)2)27-24(31)23-26-21-13-28(3)12-11-22(21)29(23)4/h5-10,14H,11-13H2,1-4H3,(H,25,30)(H,27,31).

What are the key properties of N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 156575281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).