3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine

C19H16FN5O — CID 53178380

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
SMILESCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN5O/c1-3-16-24-19(26-25-16)15-10-21-18-14(9-4-11(2)22-18)17(15)23-13-7-5-12(20)6-8-13/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyMKXWTPNAZCKRQS-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.43
Rot. Bonds4

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine (PubChem CID 53178380) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
PubChem CID53178380
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
SMILESCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN5O/c1-3-16-24-19(26-25-16)15-10-21-18-14(9-4-11(2)22-18)17(15)23-13-7-5-12(20)6-8-13/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyMKXWTPNAZCKRQS-UHFFFAOYSA-N
XLogP4.43
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine (CID 53178380) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine is CCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine?
The InChIKey is MKXWTPNAZCKRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-3-16-24-19(26-25-16)15-10-21-18-14(9-4-11(2)22-18)17(15)23-13-7-5-12(20)6-8-13/h4-10H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine has a molecular weight of 349.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).