1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one

C21H22FN3O — CID 141205527

IUPAC1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1ccc(F)cc1C)c(=O)n2C1CCCC1
InChIInChI=1S/C21H22FN3O/c1-13-9-15(22)7-8-17(13)18-10-14-12-24-20(23-2)11-19(14)25(21(18)26)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,23,24)
InChIKeyMSFRRFLPSAWIBE-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.67
Rot. Bonds3

About 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one

1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 141205527) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID141205527
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1ccc(F)cc1C)c(=O)n2C1CCCC1
InChIInChI=1S/C21H22FN3O/c1-13-9-15(22)7-8-17(13)18-10-14-12-24-20(23-2)11-19(14)25(21(18)26)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,23,24)
InChIKeyMSFRRFLPSAWIBE-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea
CID 24811151
1-cyclohexyl-3-[2-fluoro-5-[1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]urea
CID 69297373
3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 148667805
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
bis(1-cyclopentyl-3-(2,6-dichlorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one);1-cyclopentyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1,6-naphthyridin-2-one;bis(3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one)
CID 157182867
4-[(3-chloro-1-cyclopentyl-2-oxo-1,6-naphthyridin-7-yl)amino]-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 170953429
1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205537
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
3-(6-butanoyl-4-methyl-3-pyridinyl)-7-chloro-1-cyclopropyl-1,6-naphthyridin-2-one
CID 171556342
1-[5-[8-cyclopentyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-fluoro-4-methylphenyl]-3-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]urea
CID 90747349
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one (CID 141205527) is 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one is CNc1cc2c(cn1)cc(-c1ccc(F)cc1C)c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is MSFRRFLPSAWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-13-9-15(22)7-8-17(13)18-10-14-12-24-20(23-2)11-19(14)25(21(18)26)16-5-3-4-6-16/h7-12,16H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one?
1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 351.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluoro-2-methylphenyl)-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 141205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).