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

C24H20ClF2N3O2 — CID 87055619

IUPACN-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H20ClF2N3O2/c1-13-17(6-3-9-29-13)24(32)30(22(23(28)31)14-4-2-5-16(26)10-14)21-8-7-18-19(21)11-15(25)12-20(18)27/h2-6,9-12,21-22H,7-8H2,1H3,(H2,28,31)/t21-,22-/m1/s1
InChIKeyTVPAHTSVSLNJPX-FGZHOGPDSA-N
MW455.89 g/mol
LogP4.68
Rot. Bonds5

About N-[(1R)-2-amino-1-(3-fluorophenyl)-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-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (PubChem CID 87055619) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
PubChem CID87055619
Molecular FormulaC24H20ClF2N3O2
Molecular Weight455.89 g/mol
Exact Mass455.12
IUPAC NameN-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H20ClF2N3O2/c1-13-17(6-3-9-29-13)24(32)30(22(23(28)31)14-4-2-5-16(26)10-14)21-8-7-18-19(21)11-15(25)12-20(18)27/h2-6,9-12,21-22H,7-8H2,1H3,(H2,28,31)/t21-,22-/m1/s1
InChIKeyTVPAHTSVSLNJPX-FGZHOGPDSA-N
XLogP4.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

CID 11373218
CID 11373218
CID 11200691
CID 11200691
CID 70684571
CID 70684571
CID 72697202
CID 72697202
CID 87054960
CID 87054960
CID 87055294
CID 87055294
CID 87055787
CID 87055787
CID 87055788
CID 87055788
CID 87055789
CID 87055789
CID 118211314
CID 118211314
CID 153289161
CID 153289161
CID 24793808
CID 24793808

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(3-fluorophenyl)-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-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide (CID 87055619) is N-[(1R)-2-amino-1-(3-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(F)c1.
What is the InChIKey of N-[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is TVPAHTSVSLNJPX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c1-13-17(6-3-9-29-13)24(32)30(22(23(28)31)14-4-2-5-16(26)10-14)21-8-7-18-19(21)11-15(25)12-20(18)27/h2-6,9-12,21-22H,7-8H2,1H3,(H2,28,31)/t21-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(3-fluorophenyl)-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-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 455.89 g/mol, XLogP of 4.68, 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-1-(3-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 87055619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).