N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide

C33H27N5O2 — CID 22099623

About N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide

N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide (PubChem CID 22099623) has the molecular formula C33H27N5O2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
• PubChem CID: 22099623
• Molecular Formula: C33H27N5O2
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.22
• IUPAC Name: N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
• SMILES: Cc1cc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C)cc1NC(=O)c1ccccc1-c1cccnc1
• InChI: InChI=1S/C33H27N5O2/c1-21-18-29(37-32(39)26-12-4-3-11-25(26)23-9-7-15-34-19-23)22(2)17-27(21)33(40)38-20-24-10-8-16-35-31(24)36-28-13-5-6-14-30(28)38/h3-19H,20H2,1-2H3,(H,35,36)(H,37,39)
• InChIKey: MZOSOPAXXAYSGZ-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide?

The IUPAC name of N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide (CID 22099623) is N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide.

What is the SMILES notation for N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide?

The canonical SMILES for N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide is Cc1cc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C)cc1NC(=O)c1ccccc1-c1cccnc1.

What is the InChIKey of N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide?

The InChIKey is MZOSOPAXXAYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5O2/c1-21-18-29(37-32(39)26-12-4-3-11-25(26)23-9-7-15-34-19-23)22(2)17-27(21)33(40)38-20-24-10-8-16-35-31(24)36-28-13-5-6-14-30(28)38/h3-19H,20H2,1-2H3,(H,35,36)(H,37,39).

What are the key properties of N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide?

N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide has a molecular weight of 525.61 g/mol, XLogP of 6.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 22099623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).