5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine

C18H16FN3O3S — CID 53311568

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1
InChIInChI=1S/C18H16FN3O3S/c1-25-17-6-4-12(9-21-17)14-7-13(10-22-18(14)20)11-3-5-16(15(19)8-11)26(2,23)24/h3-10H,1-2H3,(H2,20,22)
InChIKeyAFQDPNHISVHDMI-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.94
Rot. Bonds4

About 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine

5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine (PubChem CID 53311568) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine
PubChem CID53311568
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1
InChIInChI=1S/C18H16FN3O3S/c1-25-17-6-4-12(9-21-17)14-7-13(10-22-18(14)20)11-3-5-16(15(19)8-11)26(2,23)24/h3-10H,1-2H3,(H2,20,22)
InChIKeyAFQDPNHISVHDMI-UHFFFAOYSA-N
XLogP2.94
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine (CID 53311568) is 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)c(F)c3)cnc2N)cn1.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine?
The InChIKey is AFQDPNHISVHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-25-17-6-4-12(9-21-17)14-7-13(10-22-18(14)20)11-3-5-16(15(19)8-11)26(2,23)24/h3-10H,1-2H3,(H2,20,22).
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine?
5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine has a molecular weight of 373.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylsulfonylphenyl)-3-(6-methoxy-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 53311568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).