4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine

C13H19N3O2S — CID 126494696

IUPAC4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine
SMILESCCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N
InChIInChI=1S/C13H19N3O2S/c1-3-10-8-13(15-9-12(10)14)11-4-6-16(7-5-11)19(2,17)18/h4,8-9H,3,5-7,14H2,1-2H3
InChIKeyKBCYYQGGNXADNY-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.27
Rot. Bonds3

About 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine

4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine (PubChem CID 126494696) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine
PubChem CID126494696
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine
SMILESCCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N
InChIInChI=1S/C13H19N3O2S/c1-3-10-8-13(15-9-12(10)14)11-4-6-16(7-5-11)19(2,17)18/h4,8-9H,3,5-7,14H2,1-2H3
InChIKeyKBCYYQGGNXADNY-UHFFFAOYSA-N
XLogP1.27
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine?
The IUPAC name of 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine (CID 126494696) is 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine.
What is the SMILES notation for 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine?
The canonical SMILES for 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine is CCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N.
What is the InChIKey of 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine?
The InChIKey is KBCYYQGGNXADNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-10-8-13(15-9-12(10)14)11-4-6-16(7-5-11)19(2,17)18/h4,8-9H,3,5-7,14H2,1-2H3.
What are the key properties of 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine?
4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine has a molecular weight of 281.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)pyridin-3-amine is sourced from PubChem (CID 126494696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).