N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide

C24H19N5O2S — CID 22099762

About N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide

N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide (PubChem CID 22099762) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 22099762
• Molecular Formula: C24H19N5O2S
• Molecular Weight: 441.52 g/mol
• Exact Mass: 441.13
• IUPAC Name: N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cn1
• InChI: InChI=1S/C24H19N5O2S/c1-15-10-12-32-21(15)23(30)28-20-9-8-16(13-26-20)24(31)29-14-17-5-2-3-6-18(17)27-22-19(29)7-4-11-25-22/h2-13H,14H2,1H3,(H,25,27)(H,26,28,30)
• InChIKey: ZOFIELWRBVRNJT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide (CID 22099762) is N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ncccc32)cn1.

What is the InChIKey of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide?

The InChIKey is ZOFIELWRBVRNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-15-10-12-32-21(15)23(30)28-20-9-8-16(13-26-20)24(31)29-14-17-5-2-3-6-18(17)27-22-19(29)7-4-11-25-22/h2-13H,14H2,1H3,(H,25,27)(H,26,28,30).

What are the key properties of N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide?

N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 22099762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).