2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide

C23H19Cl2N5O2 — CID 46946834

About 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide

2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide (PubChem CID 46946834) has the molecular formula C23H19Cl2N5O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide
• PubChem CID: 46946834
• Molecular Formula: C23H19Cl2N5O2
• Molecular Weight: 468.34 g/mol
• Exact Mass: 467.09
• IUPAC Name: 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide
• SMILES: NCC(=O)Nc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)cn1
• InChI: InChI=1S/C23H19Cl2N5O2/c24-15-6-7-18-16(10-15)22(14-5-8-20(27-12-14)30-21(31)11-26)28-19(23(32)29-18)9-13-3-1-2-4-17(13)25/h1-8,10,12,19H,9,11,26H2,(H,29,32)(H,27,30,31)
• InChIKey: YMWRQOTZSPGEQZ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 109.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.34
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide?

The IUPAC name of 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide (CID 46946834) is 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide?

The canonical SMILES for 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide is NCC(=O)Nc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)cn1.

What is the InChIKey of 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide?

The InChIKey is YMWRQOTZSPGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O2/c24-15-6-7-18-16(10-15)22(14-5-8-20(27-12-14)30-21(31)11-26)28-19(23(32)29-18)9-13-3-1-2-4-17(13)25/h1-8,10,12,19H,9,11,26H2,(H,29,32)(H,27,30,31).

What are the key properties of 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide?

2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide has a molecular weight of 468.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[5-[7-chloro-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 46946834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).