4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine

C19H18N6O — CID 133375267

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1ccn(-c2ccccc2CNc2cc(-c3nc(C)no3)ccn2)n1
InChIInChI=1S/C19H18N6O/c1-13-8-10-25(23-13)17-6-4-3-5-16(17)12-21-18-11-15(7-9-20-18)19-22-14(2)24-26-19/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyVFVXQYUSHFVWKB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.55
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine (PubChem CID 133375267) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
PubChem CID133375267
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1ccn(-c2ccccc2CNc2cc(-c3nc(C)no3)ccn2)n1
InChIInChI=1S/C19H18N6O/c1-13-8-10-25(23-13)17-6-4-3-5-16(17)12-21-18-11-15(7-9-20-18)19-22-14(2)24-26-19/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyVFVXQYUSHFVWKB-UHFFFAOYSA-N
XLogP3.55
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482509
4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 75424817
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 134711406
N-[(2-nitrophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318076
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383095
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133422837
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 53489862
2-methyl-N-[[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105074737

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine (CID 133375267) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine is Cc1ccn(-c2ccccc2CNc2cc(-c3nc(C)no3)ccn2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine?
The InChIKey is VFVXQYUSHFVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-8-10-25(23-13)17-6-4-3-5-16(17)12-21-18-11-15(7-9-20-18)19-22-14(2)24-26-19/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133375267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).