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

C18H13ClFN5O — CID 53178355

IUPACN-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc(F)c(Cl)c3)c(-c3nc(C)no3)cnc2n1
InChIInChI=1S/C18H13ClFN5O/c1-9-3-5-12-16(24-11-4-6-15(20)14(19)7-11)13(8-21-17(12)22-9)18-23-10(2)25-26-18/h3-8H,1-2H3,(H,21,22,24)
InChIKeyUWCUTBQSFKFSFV-UHFFFAOYSA-N
MW369.79 g/mol
LogP4.83
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (PubChem CID 53178355) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
PubChem CID53178355
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc(F)c(Cl)c3)c(-c3nc(C)no3)cnc2n1
InChIInChI=1S/C18H13ClFN5O/c1-9-3-5-12-16(24-11-4-6-15(20)14(19)7-11)13(8-21-17(12)22-9)18-23-10(2)25-26-18/h3-8H,1-2H3,(H,21,22,24)
InChIKeyUWCUTBQSFKFSFV-UHFFFAOYSA-N
XLogP4.83
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-fluoro-3-methylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064465
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178380
N-(4-fluorophenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine;hydrochloride
CID 146064457
N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178418
propyl 4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836585
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153833
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (CID 53178355) is N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(-c3nc(C)no3)cnc2n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The InChIKey is UWCUTBQSFKFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c1-9-3-5-12-16(24-11-4-6-15(20)14(19)7-11)13(8-21-17(12)22-9)18-23-10(2)25-26-18/h3-8H,1-2H3,(H,21,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine has a molecular weight of 369.79 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).