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

C17H18N4O2S — CID 71862323

IUPACN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2ccc(S(C)=O)cc2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-19-17(23-20-12)15-5-4-10-18-16(15)21(2)11-13-6-8-14(9-7-13)24(3)22/h4-10H,11H2,1-3H3
InChIKeyUXFZSRRPWUEUJX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.81
Rot. Bonds5

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

N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (PubChem CID 71862323) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
PubChem CID71862323
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2N(C)Cc2ccc(S(C)=O)cc2)n1
InChIInChI=1S/C17H18N4O2S/c1-12-19-17(23-20-12)15-5-4-10-18-16(15)21(2)11-13-6-8-14(9-7-13)24(3)22/h4-10H,11H2,1-3H3
InChIKeyUXFZSRRPWUEUJX-UHFFFAOYSA-N
XLogP2.81
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (CID 71862323) is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is Cc1noc(-c2cccnc2N(C)Cc2ccc(S(C)=O)cc2)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The InChIKey is UXFZSRRPWUEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-19-17(23-20-12)15-5-4-10-18-16(15)21(2)11-13-6-8-14(9-7-13)24(3)22/h4-10H,11H2,1-3H3.
What are the key properties of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine has a molecular weight of 342.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71862323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).