1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

C21H16F2N4O — CID 118271510

IUPAC1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C21H16F2N4O/c1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyCXTTVIBTVIQTTE-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.50
Rot. Bonds4

About 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 118271510) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID118271510
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C21H16F2N4O/c1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyCXTTVIBTVIQTTE-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 118271510) is 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.
What is the InChIKey of 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is CXTTVIBTVIQTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h3-12H,2H2,1H3,(H,24,25,26).
What are the key properties of 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 378.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).