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

C18H17N3O3S — CID 44525560

IUPAC3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMPUUTGILUJDKKP-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.80
Rot. Bonds4

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

3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (PubChem CID 44525560) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
PubChem CID44525560
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1
InChIInChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21)
InChIKeyMPUUTGILUJDKKP-UHFFFAOYSA-N
XLogP2.80
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Enitociclib
CID 139593425
4-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]-2-methoxy-phenol
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US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(methylsulfonyl)methyl]pyridin-2-yl}pyridin-2-amine
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4-(2-(6-Methoxypyridin-3-ylamino)-5-(4-(methylsulfonyl)benzyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
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[5-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]-2-pyridyl]methanol
CID 53311484
5-(3-Fluoro-4-methylsulfonyl-phenyl)-3-(6-methoxy-3-pyridyl)pyridin-2-amine
CID 53311568
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
3-(6-Methoxy-3-pyridyl)-5-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 53312322
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548
3-(6-Methoxy-3-pyridyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-amine
CID 68305341
3-(6-Methoxy-3-pyridyl)-5-(4-morpholinosulfonylphenyl)pyridin-2-amine
CID 68305342

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine (CID 44525560) is 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
The InChIKey is MPUUTGILUJDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-17-8-5-13(10-20-17)16-9-14(11-21-18(16)19)12-3-6-15(7-4-12)25(2,22)23/h3-11H,1-2H3,(H2,19,21).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine has a molecular weight of 355.42 g/mol, XLogP of 2.80, 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-methylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 44525560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).