3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide

C19H22FN3O2 — CID 23508145

IUPAC3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1F
InChIInChI=1S/C19H22FN3O2/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyTWVQLTKBMAIMAX-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.20
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide

3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide (PubChem CID 23508145) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
PubChem CID23508145
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1F
InChIInChI=1S/C19H22FN3O2/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyTWVQLTKBMAIMAX-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide (CID 23508145) is 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide is COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide?
The InChIKey is TWVQLTKBMAIMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-19(2)11-23(3)10-13-7-14(9-21-17(13)19)22-18(24)12-5-6-16(25-4)15(20)8-12/h5-9H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide?
3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide has a molecular weight of 343.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide is sourced from PubChem (CID 23508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).