N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride

C21H21ClFN5O2 — CID 146064465

IUPACN-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
SMILESCOCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)c(C)c2)n1.Cl
InChIInChI=1S/C21H20FN5O2.ClH/c1-12-10-14(5-7-17(12)22)25-19-15-6-4-13(2)24-20(15)23-11-16(19)21-26-18(27-29-21)8-9-28-3;/h4-7,10-11H,8-9H2,1-3H3,(H,23,24,25);1H
InChIKeyOGXNCXQOLXDPMQ-UHFFFAOYSA-N
MW429.88 g/mol
LogP4.79
Rot. Bonds6

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

N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride (PubChem CID 146064465) has the molecular formula C21H21ClFN5O2 and a molecular weight of 429.88 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
PubChem CID146064465
Molecular FormulaC21H21ClFN5O2
Molecular Weight429.88 g/mol
Exact Mass429.14
IUPAC NameN-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
SMILESCOCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)c(C)c2)n1.Cl
InChIInChI=1S/C21H20FN5O2.ClH/c1-12-10-14(5-7-17(12)22)25-19-15-6-4-13(2)24-20(15)23-11-16(19)21-26-18(27-29-21)8-9-28-3;/h4-7,10-11H,8-9H2,1-3H3,(H,23,24,25);1H
InChIKeyOGXNCXQOLXDPMQ-UHFFFAOYSA-N
XLogP4.79
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064457
N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178434
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178380
N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
CID 53178355
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methylphenyl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064357
methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53178349
N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178418
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
3-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114002284
N-[4-chloro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 167898216
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride (CID 146064465) is N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride is COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(F)c(C)c2)n1.Cl.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
The InChIKey is OGXNCXQOLXDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2.ClH/c1-12-10-14(5-7-17(12)22)25-19-15-6-4-13(2)24-20(15)23-11-16(19)21-26-18(27-29-21)8-9-28-3;/h4-7,10-11H,8-9H2,1-3H3,(H,23,24,25);1H.
What are the key properties of N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride?
N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride has a molecular weight of 429.88 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride is sourced from PubChem (CID 146064465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).