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

C23H20ClN3O2 — CID 87055375

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

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 87055375) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 87055375
• Molecular Formula: C23H20ClN3O2
• Molecular Weight: 405.89 g/mol
• Exact Mass: 405.12
• IUPAC Name: N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21
• InChI: InChI=1S/C23H20ClN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)21(22(25)28)17-7-4-12-26-14-17/h1-8,10,12-14,20-21H,9,11H2,(H2,25,28)/t20-,21-/m1/s1
• InChIKey: IUFXZWFDLUKKOW-NHCUHLMSSA-N
• XLogP: 4.09
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.89
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 87055375) is N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide.

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

The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccccc1)[C@@H]1CCc2ccc(Cl)cc21.

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

The InChIKey is IUFXZWFDLUKKOW-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-18-10-8-15-9-11-20(19(15)13-18)27(23(29)16-5-2-1-3-6-16)21(22(25)28)17-7-4-12-26-14-17/h1-8,10,12-14,20-21H,9,11H2,(H2,25,28)/t20-,21-/m1/s1.

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

N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 87055375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).