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

C22H23N5O2 — CID 53178434

IUPACN-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCCc1ccc(Nc2c(-c3nc(CCOC)no3)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C22H23N5O2/c1-4-15-6-8-16(9-7-15)25-20-17-10-5-14(2)24-21(17)23-13-18(20)22-26-19(27-29-22)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,25)
InChIKeyXRZIPWMQUSCNDN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.48
Rot. Bonds7

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

N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine (PubChem CID 53178434) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
PubChem CID53178434
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine
SMILESCCc1ccc(Nc2c(-c3nc(CCOC)no3)cnc3nc(C)ccc23)cc1
InChIInChI=1S/C22H23N5O2/c1-4-15-6-8-16(9-7-15)25-20-17-10-5-14(2)24-21(17)23-13-18(20)22-26-19(27-29-22)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,25)
InChIKeyXRZIPWMQUSCNDN-UHFFFAOYSA-N
XLogP4.48
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine (CID 53178434) is N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine is CCc1ccc(Nc2c(-c3nc(CCOC)no3)cnc3nc(C)ccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine?
The InChIKey is XRZIPWMQUSCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-15-6-8-16(9-7-15)25-20-17-10-5-14(2)24-21(17)23-13-18(20)22-26-19(27-29-22)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine?
N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-7-methyl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53178434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).