N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide

C27H28N6O2 — CID 156524154

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide (PubChem CID 156524154) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide
• PubChem CID: 156524154
• Molecular Formula: C27H28N6O2
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.23
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cc2n(c1)Cc1ccc(Cn3ccccc3=O)cc1NC2
• InChI: InChI=1S/C27H28N6O2/c1-17-9-25(28)31-18(2)23(17)13-30-27(35)21-11-22-12-29-24-10-19(6-7-20(24)15-33(22)16-21)14-32-8-4-3-5-26(32)34/h3-11,16,29H,12-15H2,1-2H3,(H2,28,31)(H,30,35)
• InChIKey: SCVIMGPUPJEGHY-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 106.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide (CID 156524154) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cc2n(c1)Cc1ccc(Cn3ccccc3=O)cc1NC2.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide?

The InChIKey is SCVIMGPUPJEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-17-9-25(28)31-18(2)23(17)13-30-27(35)21-11-22-12-29-24-10-19(6-7-20(24)15-33(22)16-21)14-32-8-4-3-5-26(32)34/h3-11,16,29H,12-15H2,1-2H3,(H2,28,31)(H,30,35).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide is sourced from PubChem (CID 156524154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).