6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide

C14H15FN4OS — CID 163857384

IUPAC6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide
SMILESCSc1ccc(/N=c2/c(C(N)=O)ccc(N)n2C)c(F)c1
InChIInChI=1S/C14H15FN4OS/c1-19-12(16)6-4-9(13(17)20)14(19)18-11-5-3-8(21-2)7-10(11)15/h3-7H,16H2,1-2H3,(H2,17,20)/b18-14-
InChIKeyAKYQVTBIEWZMFE-JXAWBTAJSA-N
MW306.37 g/mol
LogP1.80
Rot. Bonds3

About 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide

6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide (PubChem CID 163857384) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide
PubChem CID163857384
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide
SMILESCSc1ccc(/N=c2/c(C(N)=O)ccc(N)n2C)c(F)c1
InChIInChI=1S/C14H15FN4OS/c1-19-12(16)6-4-9(13(17)20)14(19)18-11-5-3-8(21-2)7-10(11)15/h3-7H,16H2,1-2H3,(H2,17,20)/b18-14-
InChIKeyAKYQVTBIEWZMFE-JXAWBTAJSA-N
XLogP1.80
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide?
The IUPAC name of 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide (CID 163857384) is 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide is CSc1ccc(/N=c2/c(C(N)=O)ccc(N)n2C)c(F)c1.
What is the InChIKey of 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide?
The InChIKey is AKYQVTBIEWZMFE-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-19-12(16)6-4-9(13(17)20)14(19)18-11-5-3-8(21-2)7-10(11)15/h3-7H,16H2,1-2H3,(H2,17,20)/b18-14-.
What are the key properties of 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide?
6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-fluoro-4-methylsulfanylphenyl)imino-1-methylpyridine-3-carboxamide is sourced from PubChem (CID 163857384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).