5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid

C13H14N2O2S — CID 113321661

IUPAC5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CCc1cccs1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H14N2O2S/c1-15(7-6-11-3-2-8-18-11)10-4-5-12(13(16)17)14-9-10/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyIRBDNFXMRYFJPR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.52
Rot. Bonds5

About 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid

5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid (PubChem CID 113321661) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
PubChem CID113321661
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CCc1cccs1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H14N2O2S/c1-15(7-6-11-3-2-8-18-11)10-4-5-12(13(16)17)14-9-10/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyIRBDNFXMRYFJPR-UHFFFAOYSA-N
XLogP2.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
N-methyl-5-(methylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107376172
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
5-[(2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 113321608
1-[2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79475572

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid (CID 113321661) is 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid is CN(CCc1cccs1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IRBDNFXMRYFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(7-6-11-3-2-8-18-11)10-4-5-12(13(16)17)14-9-10/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid?
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113321661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).