1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C18H16FN3O2 — CID 7619936

IUPAC1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)cc2cccnc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-16-12(5-4-8-20-16)9-14(18(22)24)17(23)21-13-7-6-11(2)15(19)10-13/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeySGEZOXJOTBXEGJ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds3

About 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7619936) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7619936
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)cc2cccnc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-16-12(5-4-8-20-16)9-14(18(22)24)17(23)21-13-7-6-11(2)15(19)10-13/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeySGEZOXJOTBXEGJ-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7619936) is 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(C)c(F)c2)cc2cccnc21.
What is the InChIKey of 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is SGEZOXJOTBXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-22-16-12(5-4-8-20-16)9-14(18(22)24)17(23)21-13-7-6-11(2)15(19)10-13/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluoro-4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7619936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).