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

C22H19FN4O — CID 118271159

IUPAC1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(C)cn3)cc21
InChIInChI=1S/C22H19FN4O/c1-3-27-19-11-21(26-20-9-8-14(2)12-24-20)25-13-15(19)10-17(22(27)28)16-6-4-5-7-18(16)23/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyWVUMDGWWHQHLKB-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.67
Rot. Bonds4

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

1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 118271159) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID118271159
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(C)cn3)cc21
InChIInChI=1S/C22H19FN4O/c1-3-27-19-11-21(26-20-9-8-14(2)12-24-20)25-13-15(19)10-17(22(27)28)16-6-4-5-7-18(16)23/h4-13H,3H2,1-2H3,(H,24,25,26)
InChIKeyWVUMDGWWHQHLKB-UHFFFAOYSA-N
XLogP4.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.67
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-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 118271159) is 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(C)cn3)cc21.
What is the InChIKey of 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is WVUMDGWWHQHLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-3-27-19-11-21(26-20-9-8-14(2)12-24-20)25-13-15(19)10-17(22(27)28)16-6-4-5-7-18(16)23/h4-13H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
1-ethyl-3-(2-fluorophenyl)-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 374.42 g/mol, XLogP of 4.67, 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-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).