N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

C25H23ClFN3O3 — CID 118935807

About N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide

N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (PubChem CID 118935807) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
• PubChem CID: 118935807
• Molecular Formula: C25H23ClFN3O3
• Molecular Weight: 467.93 g/mol
• Exact Mass: 467.14
• IUPAC Name: N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
• SMILES: Cc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccc(CO)c1
• InChI: InChI=1S/C25H23ClFN3O3/c1-14-18(6-3-9-29-14)25(33)30(22-8-7-19-20(22)11-17(26)12-21(19)27)23(24(28)32)16-5-2-4-15(10-16)13-31/h2-6,9-12,22-23,31H,7-8,13H2,1H3,(H2,28,32)/t22-,23-/m1/s1
• InChIKey: BNLSYXVMXFSMDP-DHIUTWEWSA-N
• XLogP: 4.03
• TPSA: 96.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.93
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?

The IUPAC name of N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (CID 118935807) is N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

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

The canonical SMILES for N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccc(CO)c1.

What is the InChIKey of N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?

The InChIKey is BNLSYXVMXFSMDP-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-14-18(6-3-9-29-14)25(33)30(22-8-7-19-20(22)11-17(26)12-21(19)27)23(24(28)32)16-5-2-4-15(10-16)13-31/h2-6,9-12,22-23,31H,7-8,13H2,1H3,(H2,28,32)/t22-,23-/m1/s1.

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

N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 118935807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).