N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C23H19ClFN3O2 — CID 118936062

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 118936062) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• PubChem CID: 118936062
• Molecular Formula: C23H19ClFN3O2
• Molecular Weight: 423.88 g/mol
• Exact Mass: 423.11
• IUPAC Name: N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• SMILES: NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)[C@@H]1CCc2c(F)cc(Cl)cc21
• InChI: InChI=1S/C23H19ClFN3O2/c24-15-12-17-16(18(25)13-15)9-10-20(17)28(23(30)19-8-4-5-11-27-19)21(22(26)29)14-6-2-1-3-7-14/h1-8,11-13,20-21H,9-10H2,(H2,26,29)/t20-,21-/m1/s1
• InChIKey: IQYUJUQMWNXSEP-NHCUHLMSSA-N
• XLogP: 4.23
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.88
LogP ≤ 5	4.23
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-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 118936062) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)[C@@H]1CCc2c(F)cc(Cl)cc21.

What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The InChIKey is IQYUJUQMWNXSEP-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c24-15-12-17-16(18(25)13-15)9-10-20(17)28(23(30)19-8-4-5-11-27-19)21(22(26)29)14-6-2-1-3-7-14/h1-8,11-13,20-21H,9-10H2,(H2,26,29)/t20-,21-/m1/s1.

What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 4.23, 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-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118936062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).