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

C21H17N5O3 — CID 53178418

IUPACN-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc4c(c3)OCO4)c(-c3nc(C4CC4)no3)cnc2n1
InChIInChI=1S/C21H17N5O3/c1-11-2-6-14-18(24-13-5-7-16-17(8-13)28-10-27-16)15(9-22-20(14)23-11)21-25-19(26-29-21)12-3-4-12/h2,5-9,12H,3-4,10H2,1H3,(H,22,23,24)
InChIKeyXOSLCMNGLYGFQC-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.34
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine (PubChem CID 53178418) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
PubChem CID53178418
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
SMILESCc1ccc2c(Nc3ccc4c(c3)OCO4)c(-c3nc(C4CC4)no3)cnc2n1
InChIInChI=1S/C21H17N5O3/c1-11-2-6-14-18(24-13-5-7-16-17(8-13)28-10-27-16)15(9-22-20(14)23-11)21-25-19(26-29-21)12-3-4-12/h2,5-9,12H,3-4,10H2,1H3,(H,22,23,24)
InChIKeyXOSLCMNGLYGFQC-UHFFFAOYSA-N
XLogP4.34
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178425
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
N-(3-chloro-4-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
CID 53178355
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
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
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063924
4-N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80956811
N,3-dimethyl-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 146567941
N-(1,3-benzodioxol-5-yl)-2-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 100752853
2-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine;4-N-(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 159014037

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine (CID 53178418) is N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine is Cc1ccc2c(Nc3ccc4c(c3)OCO4)c(-c3nc(C4CC4)no3)cnc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine?
The InChIKey is XOSLCMNGLYGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-11-2-6-14-18(24-13-5-7-16-17(8-13)28-10-27-16)15(9-22-20(14)23-11)21-25-19(26-29-21)12-3-4-12/h2,5-9,12H,3-4,10H2,1H3,(H,22,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine?
N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine has a molecular weight of 387.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).