5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide

C13H13N3O2S — CID 114090771

IUPAC5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
SMILESCSc1ccc(Oc2cc(C(N)=O)c(N)cn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-19-9-4-2-8(3-5-9)18-12-6-10(13(15)17)11(14)7-16-12/h2-7H,14H2,1H3,(H2,15,17)
InChIKeyNRNTUORMHYAREK-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide

5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide (PubChem CID 114090771) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
PubChem CID114090771
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
SMILESCSc1ccc(Oc2cc(C(N)=O)c(N)cn2)cc1
InChIInChI=1S/C13H13N3O2S/c1-19-9-4-2-8(3-5-9)18-12-6-10(13(15)17)11(14)7-16-12/h2-7H,14H2,1H3,(H2,15,17)
InChIKeyNRNTUORMHYAREK-UHFFFAOYSA-N
XLogP2.28
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
5-amino-2-(2,5-difluorophenoxy)pyridine-4-carboxamide
CID 114090768
2-(4-methylsulfanylphenoxy)pyridin-4-amine
CID 63649308
5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
CID 114267919
5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
CID 114090632
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810
[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
CID 55245584
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
5-amino-2-(4-methylcyclohexyl)oxypyridine-4-carboxamide
CID 114090645
4-(4-methylsulfanylphenoxy)quinolin-3-amine
CID 103963721
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
CID 112572747

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide (CID 114090771) is 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide is CSc1ccc(Oc2cc(C(N)=O)c(N)cn2)cc1.
What is the InChIKey of 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide?
The InChIKey is NRNTUORMHYAREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-19-9-4-2-8(3-5-9)18-12-6-10(13(15)17)11(14)7-16-12/h2-7H,14H2,1H3,(H2,15,17).
What are the key properties of 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide?
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 114090771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).