3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine

C19H16F3N3O3S — CID 53312322

IUPAC3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)cnc2N)cn1
InChIInChI=1S/C19H16F3N3O3S/c1-28-17-6-3-11(9-24-17)15-7-12(10-25-18(15)23)14-5-4-13(29(2,26)27)8-16(14)19(20,21)22/h3-10H,1-2H3,(H2,23,25)
InChIKeyKBNXAJBSRRGHSK-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.82
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 53312322) has the molecular formula C19H16F3N3O3S and a molecular weight of 423.42 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID53312322
Molecular FormulaC19H16F3N3O3S
Molecular Weight423.42 g/mol
Exact Mass423.09
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)cnc2N)cn1
InChIInChI=1S/C19H16F3N3O3S/c1-28-17-6-3-11(9-24-17)15-7-12(10-25-18(15)23)14-5-4-13(29(2,26)27)8-16(14)19(20,21)22/h3-10H,1-2H3,(H2,23,25)
InChIKeyKBNXAJBSRRGHSK-UHFFFAOYSA-N
XLogP3.82
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine (CID 53312322) is 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is KBNXAJBSRRGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3S/c1-28-17-6-3-11(9-24-17)15-7-12(10-25-18(15)23)14-5-4-13(29(2,26)27)8-16(14)19(20,21)22/h3-10H,1-2H3,(H2,23,25).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 423.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 53312322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).