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

C19H16FN5O — CID 53178357

IUPACN-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc(F)cc3C)c(-c3nc(C)no3)cnc2n1
InChIInChI=1S/C19H16FN5O/c1-10-8-13(20)5-7-16(10)24-17-14-6-4-11(2)22-18(14)21-9-15(17)19-23-12(3)25-26-19/h4-9H,1-3H3,(H,21,22,24)
InChIKeyDYTDRGULAHFQLC-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.49
Rot. Bonds3

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

N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (PubChem CID 53178357) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
PubChem CID53178357
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc(F)cc3C)c(-c3nc(C)no3)cnc2n1
InChIInChI=1S/C19H16FN5O/c1-10-8-13(20)5-7-16(10)24-17-14-6-4-11(2)22-18(14)21-9-15(17)19-23-12(3)25-26-19/h4-9H,1-3H3,(H,21,22,24)
InChIKeyDYTDRGULAHFQLC-UHFFFAOYSA-N
XLogP4.49
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (CID 53178357) is N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is Cc1ccc2c(Nc3ccc(F)cc3C)c(-c3nc(C)no3)cnc2n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The InChIKey is DYTDRGULAHFQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-10-8-13(20)5-7-16(10)24-17-14-6-4-11(2)22-18(14)21-9-15(17)19-23-12(3)25-26-19/h4-9H,1-3H3,(H,21,22,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine has a molecular weight of 349.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).