6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid

C13H14N2O2S — CID 81244511

IUPAC6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2cscc2C)c(C(=O)O)cn1
InChIInChI=1S/C13H14N2O2S/c1-8-6-18-7-10(8)4-15-12-3-9(2)14-5-11(12)13(16)17/h3,5-7H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWQQXGXITQCCUPT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.07
Rot. Bonds4

About 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid

6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81244511) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81244511
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCc2cscc2C)c(C(=O)O)cn1
InChIInChI=1S/C13H14N2O2S/c1-8-6-18-7-10(8)4-15-12-3-9(2)14-5-11(12)13(16)17/h3,5-7H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyWQQXGXITQCCUPT-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

4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
5-bromo-2-[(4-methylthiophen-3-yl)methylamino]benzoic acid
CID 114895904
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244751
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid (CID 81244511) is 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid is Cc1cc(NCc2cscc2C)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is WQQXGXITQCCUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-6-18-7-10(8)4-15-12-3-9(2)14-5-11(12)13(16)17/h3,5-7H,4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid?
6-methyl-4-[(4-methylthiophen-3-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-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).