N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide

C18H20FN3O2 — CID 23508143

IUPACN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1F
InChIInChI=1S/C18H20FN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23)
InChIKeyDYMACHXFEREXRH-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.86
Rot. Bonds3

About N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide

N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 23508143) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide
PubChem CID23508143
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1F
InChIInChI=1S/C18H20FN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23)
InChIKeyDYMACHXFEREXRH-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide (CID 23508143) is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1F.
What is the InChIKey of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is DYMACHXFEREXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23).
What are the key properties of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide?
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 329.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 23508143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).