2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide

C13H13N3O2S — CID 114195744

IUPAC2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
SMILESCOc1ccc(Sc2cnc(N)cc2C(N)=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-8-2-4-9(5-3-8)19-11-7-16-12(14)6-10(11)13(15)17/h2-7H,1H3,(H2,14,16)(H2,15,17)
InChIKeyCYBCKJXZTFMASN-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide

2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide (PubChem CID 114195744) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
PubChem CID114195744
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide
SMILESCOc1ccc(Sc2cnc(N)cc2C(N)=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-18-8-2-4-9(5-3-8)19-11-7-16-12(14)6-10(11)13(15)17/h2-7H,1H3,(H2,14,16)(H2,15,17)
InChIKeyCYBCKJXZTFMASN-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(4-methoxyphenyl)sulfanylbenzamide
CID 112580007
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 4,5-dimethoxy-2-(4-methoxyphenyl)sulfanylbenzoate
CID 146311234
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803
5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
2-[5-amino-2-(4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91880029
2-(4-methoxyphenyl)sulfanylpyrimidine-4-carboxylic acid
CID 107555127
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide
CID 172625623
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide?
The IUPAC name of 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide (CID 114195744) is 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide is COc1ccc(Sc2cnc(N)cc2C(N)=O)cc1.
What is the InChIKey of 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide?
The InChIKey is CYBCKJXZTFMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-8-2-4-9(5-3-8)19-11-7-16-12(14)6-10(11)13(15)17/h2-7H,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide?
2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxyphenyl)sulfanylpyridine-4-carboxamide is sourced from PubChem (CID 114195744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).