6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine

C16H16N4O3S — CID 167753272

IUPAC6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine
SMILESCc1noc(-c2ccc(NCc3cccc(S(C)(=O)=O)c3)cn2)n1
InChIInChI=1S/C16H16N4O3S/c1-11-19-16(23-20-11)15-7-6-13(10-18-15)17-9-12-4-3-5-14(8-12)24(2,21)22/h3-8,10,17H,9H2,1-2H3
InChIKeyKTFCNFKUDRNDSC-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.46
Rot. Bonds5

About 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine (PubChem CID 167753272) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine
PubChem CID167753272
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine
SMILESCc1noc(-c2ccc(NCc3cccc(S(C)(=O)=O)c3)cn2)n1
InChIInChI=1S/C16H16N4O3S/c1-11-19-16(23-20-11)15-7-6-13(10-18-15)17-9-12-4-3-5-14(8-12)24(2,21)22/h3-8,10,17H,9H2,1-2H3
InChIKeyKTFCNFKUDRNDSC-UHFFFAOYSA-N
XLogP2.46
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine (CID 167753272) is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine is Cc1noc(-c2ccc(NCc3cccc(S(C)(=O)=O)c3)cn2)n1.
What is the InChIKey of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine?
The InChIKey is KTFCNFKUDRNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-11-19-16(23-20-11)15-7-6-13(10-18-15)17-9-12-4-3-5-14(8-12)24(2,21)22/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine?
6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine has a molecular weight of 344.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 167753272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).