7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one

C28H32FN5O2 — CID 118400023

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(F)cc2C)c(=O)n3CC)nc1
InChIInChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)
InChIKeyIZGYXSFEPNBMMK-UHFFFAOYSA-N
MW489.60 g/mol
LogP5.39
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one (PubChem CID 118400023) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one
PubChem CID118400023
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(F)cc2C)c(=O)n3CC)nc1
InChIInChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32)
InChIKeyIZGYXSFEPNBMMK-UHFFFAOYSA-N
XLogP5.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one with MolForge

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Related Compounds

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Pyrido[2,3-d]pyrimidin-7-one deriv. 28
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CID 5328650
3-(2,6-Dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328716
3-(2,6-Dichlorophenyl)-1-methyl-7-({4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}amino)-1,2-dihydro-1,6-naphthyridin-2-one
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CID 16748274
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CID 16748528
2-(cyclopropanecarbonylamino)-N-[5-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one (CID 118400023) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccc(F)cc2C)c(=O)n3CC)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one?
The InChIKey is IZGYXSFEPNBMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-5-33(6-2)12-13-36-22-9-11-26(31-18-22)32-27-16-25-20(17-30-27)15-24(28(35)34(25)7-3)23-10-8-21(29)14-19(23)4/h8-11,14-18H,5-7,12-13H2,1-4H3,(H,30,31,32).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one has a molecular weight of 489.60 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(4-fluoro-2-methylphenyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118400023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).