2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine

C24H24N4O — CID 143944618

IUPAC2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(c4cccnc4)C3)N=C(N)N(C)O2)c1
InChIInChI=1S/C24H24N4O/c1-16-5-3-6-17(11-16)18-8-9-19-12-21(20-7-4-10-26-15-20)14-24(22(19)13-18)27-23(25)28(2)29-24/h3-11,13,15,21H,12,14H2,1-2H3,(H2,25,27)
InChIKeyZNPSDMKPUNXHRB-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.13
Rot. Bonds2

About 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine

2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine (PubChem CID 143944618) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine.

Molecular Properties

Compound Name2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine
PubChem CID143944618
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine
SMILESCc1cccc(-c2ccc3c(c2)C2(CC(c4cccnc4)C3)N=C(N)N(C)O2)c1
InChIInChI=1S/C24H24N4O/c1-16-5-3-6-17(11-16)18-8-9-19-12-21(20-7-4-10-26-15-20)14-24(22(19)13-18)27-23(25)28(2)29-24/h3-11,13,15,21H,12,14H2,1-2H3,(H2,25,27)
InChIKeyZNPSDMKPUNXHRB-UHFFFAOYSA-N
XLogP4.13
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine?
The IUPAC name of 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine (CID 143944618) is 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine.
What is the SMILES notation for 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine?
The canonical SMILES for 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine is Cc1cccc(-c2ccc3c(c2)C2(CC(c4cccnc4)C3)N=C(N)N(C)O2)c1.
What is the InChIKey of 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine?
The InChIKey is ZNPSDMKPUNXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-5-3-6-17(11-16)18-8-9-19-12-21(20-7-4-10-26-15-20)14-24(22(19)13-18)27-23(25)28(2)29-24/h3-11,13,15,21H,12,14H2,1-2H3,(H2,25,27).
What are the key properties of 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine?
2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine has a molecular weight of 384.48 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6'-(3-methylphenyl)-2'-pyridin-3-ylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydro-1H-naphthalene]-3-amine is sourced from PubChem (CID 143944618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).