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

C19H19N5O2 — CID 31882290

About 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile

6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile (PubChem CID 31882290) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
• PubChem CID: 31882290
• Molecular Formula: C19H19N5O2
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.15
• IUPAC Name: 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
• SMILES: C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1
• InChI: InChI=1S/C19H19N5O2/c1-13-9-18(25)22-15-5-3-4-6-16(15)24(13)19(26)12-23(2)17-8-7-14(10-20)11-21-17/h3-8,11,13H,9,12H2,1-2H3,(H,22,25)/t13-/m0/s1
• InChIKey: MRCCNFAVDLKJIG-ZDUSSCGKSA-N
• XLogP: 2.15
• TPSA: 89.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile?

The IUPAC name of 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile (CID 31882290) is 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile is C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc(C#N)cn1.

What is the InChIKey of 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile?

The InChIKey is MRCCNFAVDLKJIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-18(25)22-15-5-3-4-6-16(15)24(13)19(26)12-23(2)17-8-7-14(10-20)11-21-17/h3-8,11,13H,9,12H2,1-2H3,(H,22,25)/t13-/m0/s1.

What are the key properties of 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile?

6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 31882290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).