[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C21H20ClF3N4O — CID 146063718

IUPAC[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCC3)cnc2n1.Cl
InChIInChI=1S/C21H19F3N4O.ClH/c1-13-7-8-16-18(27-15-6-4-5-14(11-15)21(22,23)24)17(12-25-19(16)26-13)20(29)28-9-2-3-10-28;/h4-8,11-12H,2-3,9-10H2,1H3,(H,25,26,27);1H
InChIKeyJMRPZRBVQZFYPX-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.36
Rot. Bonds3

About [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 146063718) has the molecular formula C21H20ClF3N4O and a molecular weight of 436.87 g/mol. Its IUPAC name is [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID146063718
Molecular FormulaC21H20ClF3N4O
Molecular Weight436.87 g/mol
Exact Mass436.13
IUPAC Name[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCC3)cnc2n1.Cl
InChIInChI=1S/C21H19F3N4O.ClH/c1-13-7-8-16-18(27-15-6-4-5-14(11-15)21(22,23)24)17(12-25-19(16)26-13)20(29)28-9-2-3-10-28;/h4-8,11-12H,2-3,9-10H2,1H3,(H,25,26,27);1H
InChIKeyJMRPZRBVQZFYPX-UHFFFAOYSA-N
XLogP5.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[6-chloro-4-[3-(trifluoromethyl)anilino]quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032710
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 53132200
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211

Frequently Asked Questions

What is the IUPAC name of [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 146063718) is [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCC3)cnc2n1.Cl.
What is the InChIKey of [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is JMRPZRBVQZFYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O.ClH/c1-13-7-8-16-18(27-15-6-4-5-14(11-15)21(22,23)24)17(12-25-19(16)26-13)20(29)28-9-2-3-10-28;/h4-8,11-12H,2-3,9-10H2,1H3,(H,25,26,27);1H.
What are the key properties of [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 436.87 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 146063718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).