5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one

C42H39Cl3F2N6O4 — CID 159578791

IUPAC5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccn1.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc(CC(C)=O)c1
InChIInChI=1S/C21H19ClFN3O2.C13H12ClFN2O.C8H8ClNO/c1-3-19-20(25-14-6-7-24-15(10-14)8-12(2)27)11-16(21(28)26-19)13-4-5-18(23)17(22)9-13;1-2-12-11(16)6-8(13(18)17-12)7-3-4-10(15)9(14)5-7;1-6(11)4-8-5-7(9)2-3-10-8/h4-7,9-11H,3,8H2,1-2H3,(H,24,25)(H,26,28);3-6H,2,16H2,1H3,(H,17,18);2-3,5H,4H2,1H3
InChIKeyMISYLSVPKQLDOU-UHFFFAOYSA-N
MW836.17 g/mol
LogP9.51
Rot. Bonds10

About 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one

5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one (PubChem CID 159578791) has the molecular formula C42H39Cl3F2N6O4 and a molecular weight of 836.17 g/mol. Its IUPAC name is 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one
PubChem CID159578791
Molecular FormulaC42H39Cl3F2N6O4
Molecular Weight836.17 g/mol
Exact Mass834.21
IUPAC Name5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccn1.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc(CC(C)=O)c1
InChIInChI=1S/C21H19ClFN3O2.C13H12ClFN2O.C8H8ClNO/c1-3-19-20(25-14-6-7-24-15(10-14)8-12(2)27)11-16(21(28)26-19)13-4-5-18(23)17(22)9-13;1-2-12-11(16)6-8(13(18)17-12)7-3-4-10(15)9(14)5-7;1-6(11)4-8-5-7(9)2-3-10-8/h4-7,9-11H,3,8H2,1-2H3,(H,24,25)(H,26,28);3-6H,2,16H2,1H3,(H,17,18);2-3,5H,4H2,1H3
InChIKeyMISYLSVPKQLDOU-UHFFFAOYSA-N
XLogP9.51
TPSA163.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.17
LogP ≤ 59.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one?
The IUPAC name of 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one (CID 159578791) is 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one.
What is the SMILES notation for 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one?
The canonical SMILES for 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one is CC(=O)Cc1cc(Cl)ccn1.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N.CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc(CC(C)=O)c1.
What is the InChIKey of 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one?
The InChIKey is MISYLSVPKQLDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2.C13H12ClFN2O.C8H8ClNO/c1-3-19-20(25-14-6-7-24-15(10-14)8-12(2)27)11-16(21(28)26-19)13-4-5-18(23)17(22)9-13;1-2-12-11(16)6-8(13(18)17-12)7-3-4-10(15)9(14)5-7;1-6(11)4-8-5-7(9)2-3-10-8/h4-7,9-11H,3,8H2,1-2H3,(H,24,25)(H,26,28);3-6H,2,16H2,1H3,(H,17,18);2-3,5H,4H2,1H3.
What are the key properties of 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one?
5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one has a molecular weight of 836.17 g/mol, XLogP of 9.51, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloro-4-fluorophenyl)-6-ethyl-1H-pyridin-2-one;3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[2-(2-oxopropyl)-4-pyridinyl]amino]-1H-pyridin-2-one;1-(4-chloro-2-pyridinyl)propan-2-one is sourced from PubChem (CID 159578791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).