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

C24H18ClFN4O3 — CID 118935582

IUPACN-[2-amino-1-(5-cyano-3-pyridinyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
SMILESN#Cc1cncc(C(C(N)=O)N(C(=O)c2ccccc2O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C24H18ClFN4O3/c25-15-8-18-16(19(26)9-15)5-6-20(18)30(24(33)17-3-1-2-4-21(17)31)22(23(28)32)14-7-13(10-27)11-29-12-14/h1-4,7-9,11-12,20,22,31H,5-6H2,(H2,28,32)/t20-,22?/m1/s1
InChIKeyKRJPHOLMEONWHI-PSDZMVHGSA-N
MW464.88 g/mol
LogP3.81
Rot. Bonds5

About 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

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 (PubChem CID 118935582) has the molecular formula C24H18ClFN4O3 and a molecular weight of 464.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-amino-1-(5-cyano-3-pyridinyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
PubChem CID118935582
Molecular FormulaC24H18ClFN4O3
Molecular Weight464.88 g/mol
Exact Mass464.11
IUPAC NameN-[2-amino-1-(5-cyano-3-pyridinyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
SMILESN#Cc1cncc(C(C(N)=O)N(C(=O)c2ccccc2O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C24H18ClFN4O3/c25-15-8-18-16(19(26)9-15)5-6-20(18)30(24(33)17-3-1-2-4-21(17)31)22(23(28)32)14-7-13(10-27)11-29-12-14/h1-4,7-9,11-12,20,22,31H,5-6H2,(H2,28,32)/t20-,22?/m1/s1
InChIKeyKRJPHOLMEONWHI-PSDZMVHGSA-N
XLogP3.81
TPSA120.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935922
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-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-[(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-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-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-(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-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 118936158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cncc(C(C(N)=O)N(C(=O)c2ccccc2O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1.
What is the InChIKey of 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?
The InChIKey is KRJPHOLMEONWHI-PSDZMVHGSA-N. The full InChI is InChI=1S/C24H18ClFN4O3/c25-15-8-18-16(19(26)9-15)5-6-20(18)30(24(33)17-3-1-2-4-21(17)31)22(23(28)32)14-7-13(10-27)11-29-12-14/h1-4,7-9,11-12,20,22,31H,5-6H2,(H2,28,32)/t20-,22?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 464.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118935582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).