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

C22H23N5O3 — CID 53178403

IUPACN-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCOc1ccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc23)cc1OC
InChIInChI=1S/C22H23N5O3/c1-12(2)20-26-22(30-27-20)16-11-23-21-15(8-6-13(3)24-21)19(16)25-14-7-9-17(28-4)18(10-14)29-5/h6-12H,1-5H3,(H,23,24,25)
InChIKeyQDINENBIUIXSAN-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.87
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (PubChem CID 53178403) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
PubChem CID53178403
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine
SMILESCOc1ccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc23)cc1OC
InChIInChI=1S/C22H23N5O3/c1-12(2)20-26-22(30-27-20)16-11-23-21-15(8-6-13(3)24-21)19(16)25-14-7-9-17(28-4)18(10-14)29-5/h6-12H,1-5H3,(H,23,24,25)
InChIKeyQDINENBIUIXSAN-UHFFFAOYSA-N
XLogP4.87
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine (CID 53178403) is N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is COc1ccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
The InChIKey is QDINENBIUIXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-12(2)20-26-22(30-27-20)16-11-23-21-15(8-6-13(3)24-21)19(16)25-14-7-9-17(28-4)18(10-14)29-5/h6-12H,1-5H3,(H,23,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine?
N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine has a molecular weight of 405.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).