N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide

C24H20N4O2 — CID 118935478

About N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide

N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935478) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 118935478
• Molecular Formula: C24H20N4O2
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.16
• IUPAC Name: N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: N#Cc1ccc2c(c1)[C@H](N(C(=O)c1ccccc1)C(C(N)=O)c1cccnc1)CC2
• InChI: InChI=1S/C24H20N4O2/c25-14-16-8-9-17-10-11-21(20(17)13-16)28(24(30)18-5-2-1-3-6-18)22(23(26)29)19-7-4-12-27-15-19/h1-9,12-13,15,21-22H,10-11H2,(H2,26,29)/t21-,22?/m1/s1
• InChIKey: STYRCBNCFXXJIZ-ZMFCMNQTSA-N
• XLogP: 3.31
• TPSA: 100.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935478) is N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide is N#Cc1ccc2c(c1)[C@H](N(C(=O)c1ccccc1)C(C(N)=O)c1cccnc1)CC2.

What is the InChIKey of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is STYRCBNCFXXJIZ-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-14-16-8-9-17-10-11-21(20(17)13-16)28(24(30)18-5-2-1-3-6-18)22(23(26)29)19-7-4-12-27-15-19/h1-9,12-13,15,21-22H,10-11H2,(H2,26,29)/t21-,22?/m1/s1.

What are the key properties of N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide?

N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-cyano-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).