6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid

C13H14N2O2S — CID 62710803

IUPAC6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCc2ccc(C)s2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-11(13(16)17)12(15-8)14-7-10-5-4-9(2)18-10/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBFRYSWXJAWFDR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.07
Rot. Bonds4

About 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid

6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 62710803) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID62710803
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCc2ccc(C)s2)n1
InChIInChI=1S/C13H14N2O2S/c1-8-3-6-11(13(16)17)12(15-8)14-7-10-5-4-9(2)18-10/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJBFRYSWXJAWFDR-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 62711478
6-methyl-2-[(3-methylphenyl)methylamino]pyridine-3-carboxylic acid
CID 25109943
6-methyl-2-[(4-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 62710975
6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 66451675
4-[(5-bromothiophen-2-yl)methylamino]-2-methylpyrimidine-5-carboxylic acid
CID 115148779
6-methyl-2-(pent-3-ynylamino)pyridine-3-carboxylic acid
CID 116645397
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
CID 102700954
4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
CID 62056556
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
6-methyl-2-(2-phenylpropylamino)pyridine-3-carboxylic acid
CID 104592286
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (CID 62710803) is 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCc2ccc(C)s2)n1.
What is the InChIKey of 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is JBFRYSWXJAWFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-3-6-11(13(16)17)12(15-8)14-7-10-5-4-9(2)18-10/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62710803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).