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

C23H18Cl2FN3O2 — CID 118935261

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccncc1Cl)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O2/c24-14-10-17-15(19(26)11-14)6-7-20(17)29(23(31)16-8-9-28-12-18(16)25)21(22(27)30)13-4-2-1-3-5-13/h1-5,8-12,20-21H,6-7H2,(H2,27,30)/t20-,21-/m1/s1
InChIKeyBBECAJVUIBYVMW-NHCUHLMSSA-N
MW458.32 g/mol
LogP4.88
Rot. Bonds5

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

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 118935261) has the molecular formula C23H18Cl2FN3O2 and a molecular weight of 458.32 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
PubChem CID118935261
Molecular FormulaC23H18Cl2FN3O2
Molecular Weight458.32 g/mol
Exact Mass457.08
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
SMILESNC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccncc1Cl)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O2/c24-14-10-17-15(19(26)11-14)6-7-20(17)29(23(31)16-8-9-28-12-18(16)25)21(22(27)30)13-4-2-1-3-5-13/h1-5,8-12,20-21H,6-7H2,(H2,27,30)/t20-,21-/m1/s1
InChIKeyBBECAJVUIBYVMW-NHCUHLMSSA-N
XLogP4.88
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyridine-4-carboxamide
CID 87055620
N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
CID 144743649
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
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935454
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 118935957
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 118936158
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-4-nitrobenzamide
CID 118935860
N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-4-nitrobenzamide
CID 118935862
N-[2-amino-1-(5-cyano-3-pyridinyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 118935582
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935922
N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935923

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 118935261) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccncc1Cl)[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
The InChIKey is BBECAJVUIBYVMW-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O2/c24-14-10-17-15(19(26)11-14)6-7-20(17)29(23(31)16-8-9-28-12-18(16)25)21(22(27)30)13-4-2-1-3-5-13/h1-5,8-12,20-21H,6-7H2,(H2,27,30)/t20-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 4.88, 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]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118935261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).