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

C23H18ClFN4O5 — CID 118935860

IUPACN-[(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
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18ClFN4O5/c24-13-8-17-15(18(25)9-13)5-6-19(17)28(21(22(26)31)12-2-1-7-27-11-12)23(32)16-4-3-14(29(33)34)10-20(16)30/h1-4,7-11,19,21,30H,5-6H2,(H2,26,31)/t19-,21-/m1/s1
InChIKeyUZPNXKNIKRLIOL-TZIWHRDSSA-N
MW484.87 g/mol
LogP3.84
Rot. Bonds6

About 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

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 (PubChem CID 118935860) has the molecular formula C23H18ClFN4O5 and a molecular weight of 484.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID118935860
Molecular FormulaC23H18ClFN4O5
Molecular Weight484.87 g/mol
Exact Mass484.09
IUPAC NameN-[(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
SMILESNC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18ClFN4O5/c24-13-8-17-15(18(25)9-13)5-6-19(17)28(21(22(26)31)12-2-1-7-27-11-12)23(32)16-4-3-14(29(33)34)10-20(16)30/h1-4,7-11,19,21,30H,5-6H2,(H2,26,31)/t19-,21-/m1/s1
InChIKeyUZPNXKNIKRLIOL-TZIWHRDSSA-N
XLogP3.84
TPSA139.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.87
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-[(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-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
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
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-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-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-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)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935485
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of 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?
The InChIKey is UZPNXKNIKRLIOL-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H18ClFN4O5/c24-13-8-17-15(18(25)9-13)5-6-19(17)28(21(22(26)31)12-2-1-7-27-11-12)23(32)16-4-3-14(29(33)34)10-20(16)30/h1-4,7-11,19,21,30H,5-6H2,(H2,26,31)/t19-,21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 484.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118935860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).