N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine

C21H22N6O2 — CID 26329848

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3ccc(N(C)Cc4c(C)n[nH]c4C)nc3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-13-18(14(2)25-24-13)12-27(3)19-10-7-16(11-22-19)21-23-20(26-29-21)15-5-8-17(28-4)9-6-15/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyDZUXGKYXFVESEC-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.78
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine (PubChem CID 26329848) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
PubChem CID26329848
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
SMILESCOc1ccc(-c2noc(-c3ccc(N(C)Cc4c(C)n[nH]c4C)nc3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-13-18(14(2)25-24-13)12-27(3)19-10-7-16(11-22-19)21-23-20(26-29-21)15-5-8-17(28-4)9-6-15/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyDZUXGKYXFVESEC-UHFFFAOYSA-N
XLogP3.78
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine (CID 26329848) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine is COc1ccc(-c2noc(-c3ccc(N(C)Cc4c(C)n[nH]c4C)nc3)n2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine?
The InChIKey is DZUXGKYXFVESEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-18(14(2)25-24-13)12-27(3)19-10-7-16(11-22-19)21-23-20(26-29-21)15-5-8-17(28-4)9-6-15/h5-11H,12H2,1-4H3,(H,24,25).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 26329848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).