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

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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).