3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide

C18H16N4O2S — CID 67486298

IUPAC3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide
SMILESCc1ccnc(C)c1Oc1cc(Sc2ccccn2)cnc1C(N)=O
InChIInChI=1S/C18H16N4O2S/c1-11-6-8-20-12(2)17(11)24-14-9-13(10-22-16(14)18(19)23)25-15-5-3-4-7-21-15/h3-10H,1-2H3,(H2,19,23)
InChIKeyPOMZUMUTXSEOCW-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.53
Rot. Bonds5

About 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide

3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide (PubChem CID 67486298) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide
PubChem CID67486298
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide
SMILESCc1ccnc(C)c1Oc1cc(Sc2ccccn2)cnc1C(N)=O
InChIInChI=1S/C18H16N4O2S/c1-11-6-8-20-12(2)17(11)24-14-9-13(10-22-16(14)18(19)23)25-15-5-3-4-7-21-15/h3-10H,1-2H3,(H2,19,23)
InChIKeyPOMZUMUTXSEOCW-UHFFFAOYSA-N
XLogP3.53
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The IUPAC name of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide (CID 67486298) is 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide is Cc1ccnc(C)c1Oc1cc(Sc2ccccn2)cnc1C(N)=O.
What is the InChIKey of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide?
The InChIKey is POMZUMUTXSEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-6-8-20-12(2)17(11)24-14-9-13(10-22-16(14)18(19)23)25-15-5-3-4-7-21-15/h3-10H,1-2H3,(H2,19,23).
What are the key properties of 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide?
3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 67486298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).