3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one

C22H15ClF4N4O — CID 146299078

IUPAC3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc2cc(C(F)(F)F)ncc12
InChIInChI=1S/C22H15ClF4N4O/c1-2-16-19(8-12(21(32)31-16)11-3-4-15(24)14(23)7-11)30-17-5-6-28-18-9-20(22(25,26)27)29-10-13(17)18/h3-10H,2H2,1H3,(H,28,30)(H,31,32)
InChIKeyWWGZUVSFZHHGKG-UHFFFAOYSA-N
MW462.83 g/mol
LogP6.10
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one

3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 146299078) has the molecular formula C22H15ClF4N4O and a molecular weight of 462.83 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one
PubChem CID146299078
Molecular FormulaC22H15ClF4N4O
Molecular Weight462.83 g/mol
Exact Mass462.09
IUPAC Name3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc2cc(C(F)(F)F)ncc12
InChIInChI=1S/C22H15ClF4N4O/c1-2-16-19(8-12(21(32)31-16)11-3-4-15(24)14(23)7-11)30-17-5-6-28-18-9-20(22(25,26)27)29-10-13(17)18/h3-10H,2H2,1H3,(H,28,30)(H,31,32)
InChIKeyWWGZUVSFZHHGKG-UHFFFAOYSA-N
XLogP6.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.83
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299044
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
4-[[5-(3-chlorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 146299053
4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
CID 158634516
3-(5-chloro-2-fluorophenyl)-6-methylsulfanyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299041
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinolin-4-amine
CID 161322524
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
methyl 2-[2-[(7-chloroquinolin-4-yl)amino]-4-(trifluoromethyl)phenyl]acetate
CID 157172040
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one (CID 146299078) is 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one is CCc1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1Nc1ccnc2cc(C(F)(F)F)ncc12.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is WWGZUVSFZHHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N4O/c1-2-16-19(8-12(21(32)31-16)11-3-4-15(24)14(23)7-11)30-17-5-6-28-18-9-20(22(25,26)27)29-10-13(17)18/h3-10H,2H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one?
3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 462.83 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-6-ethyl-5-[[7-(trifluoromethyl)-1,6-naphthyridin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 146299078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).