5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide

C13H16N4OS — CID 114090453

IUPAC5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1cccs1)c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H16N4OS/c1-17(5-4-9-3-2-6-19-9)12-7-10(13(15)18)11(14)8-16-12/h2-3,6-8H,4-5,14H2,1H3,(H2,15,18)
InChIKeyVSUNXTPZRRDCPU-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.50
Rot. Bonds5

About 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide

5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 114090453) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
PubChem CID114090453
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1cccs1)c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H16N4OS/c1-17(5-4-9-3-2-6-19-9)12-7-10(13(15)18)11(14)8-16-12/h2-3,6-8H,4-5,14H2,1H3,(H2,15,18)
InChIKeyVSUNXTPZRRDCPU-UHFFFAOYSA-N
XLogP1.50
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzamide
CID 79475551
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114090087
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 63773831
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide (CID 114090453) is 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide is CN(CCc1cccs1)c1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is VSUNXTPZRRDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(5-4-9-3-2-6-19-9)12-7-10(13(15)18)11(14)8-16-12/h2-3,6-8H,4-5,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide?
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114090453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).