N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide

C19H20N4O3 — CID 42281324

About N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide

N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 42281324) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide
• PubChem CID: 42281324
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide
• SMILES: C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccncc1
• InChI: InChI=1S/C19H20N4O3/c1-13-11-17(24)21-15-5-3-4-6-16(15)23(13)18(25)12-22(2)19(26)14-7-9-20-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1
• InChIKey: JRNLBVKGPDIZFT-ZDUSSCGKSA-N
• XLogP: 1.92
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide?

The IUPAC name of N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide (CID 42281324) is N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide?

The canonical SMILES for N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide is C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccncc1.

What is the InChIKey of N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide?

The InChIKey is JRNLBVKGPDIZFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-11-17(24)21-15-5-3-4-6-16(15)23(13)18(25)12-22(2)19(26)14-7-9-20-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1.

What are the key properties of N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide?

N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 42281324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).