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

C23H23N5O3 — CID 53178425

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCOc1ccc(CNc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc23)cc1OC
InChIInChI=1S/C23H23N5O3/c1-13-4-8-16-20(24-11-14-5-9-18(29-2)19(10-14)30-3)17(12-25-22(16)26-13)23-27-21(28-31-23)15-6-7-15/h4-5,8-10,12,15H,6-7,11H2,1-3H3,(H,24,25,26)
InChIKeyXLZXEKYDVWZGLT-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.49
Rot. Bonds7

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

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine (PubChem CID 53178425) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
PubChem CID53178425
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCOc1ccc(CNc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc23)cc1OC
InChIInChI=1S/C23H23N5O3/c1-13-4-8-16-20(24-11-14-5-9-18(29-2)19(10-14)30-3)17(12-25-22(16)26-13)23-27-21(28-31-23)15-6-7-15/h4-5,8-10,12,15H,6-7,11H2,1-3H3,(H,24,25,26)
InChIKeyXLZXEKYDVWZGLT-UHFFFAOYSA-N
XLogP4.49
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine (CID 53178425) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine is COc1ccc(CNc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc23)cc1OC.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine?
The InChIKey is XLZXEKYDVWZGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-4-8-16-20(24-11-14-5-9-18(29-2)19(10-14)30-3)17(12-25-22(16)26-13)23-27-21(28-31-23)15-6-7-15/h4-5,8-10,12,15H,6-7,11H2,1-3H3,(H,24,25,26).
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine has a molecular weight of 417.47 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).