N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide

C53H48ClN7O5 — CID 157082970

About N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide

N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide (PubChem CID 157082970) has the molecular formula C53H48ClN7O5 and a molecular weight of 898.46 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide
• PubChem CID: 157082970
• Molecular Formula: C53H48ClN7O5
• Molecular Weight: 898.46 g/mol
• Exact Mass: 897.34
• IUPAC Name: N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide
• SMILES: COc1cccc(C2(c3ccccc3)NC(NC(=O)C(C)C)C(=O)Nc3ccccc32)c1.O=C(NC1NC(c2ccccc2)(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccncc1
• InChI: InChI=1S/C27H21ClN4O2.C26H27N3O3/c28-21-10-6-9-20(17-21)27(19-7-2-1-3-8-19)22-11-4-5-12-23(22)30-26(34)24(32-27)31-25(33)18-13-15-29-16-14-18;1-17(2)24(30)28-23-25(31)27-22-15-8-7-14-21(22)26(29-23,18-10-5-4-6-11-18)19-12-9-13-20(16-19)32-3/h1-17,24,32H,(H,30,34)(H,31,33);4-17,23,29H,1-3H3,(H,27,31)(H,28,30)
• InChIKey: ADTMOFJGAUKKLU-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 162.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	898.46
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide?

The IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide (CID 157082970) is N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide.

What is the SMILES notation for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide?

The canonical SMILES for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide is COc1cccc(C2(c3ccccc3)NC(NC(=O)C(C)C)C(=O)Nc3ccccc32)c1.O=C(NC1NC(c2ccccc2)(c2cccc(Cl)c2)c2ccccc2NC1=O)c1ccncc1.

What is the InChIKey of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide?

The InChIKey is ADTMOFJGAUKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2.C26H27N3O3/c28-21-10-6-9-20(17-21)27(19-7-2-1-3-8-19)22-11-4-5-12-23(22)30-26(34)24(32-27)31-25(33)18-13-15-29-16-14-18;1-17(2)24(30)28-23-25(31)27-22-15-8-7-14-21(22)26(29-23,18-10-5-4-6-11-18)19-12-9-13-20(16-19)32-3/h1-17,24,32H,(H,30,34)(H,31,33);4-17,23,29H,1-3H3,(H,27,31)(H,28,30).

What are the key properties of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide?

N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide has a molecular weight of 898.46 g/mol, XLogP of 7.95, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]pyridine-4-carboxamide;N-[5-(3-methoxyphenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 157082970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).