5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid

C15H18N2O2S — CID 80631787

IUPAC5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-10-7-12(15(18)19)9-16-14(10)17(3)11(2)8-13-5-4-6-20-13/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMHEDYRUBGREUGE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds5

About 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid

5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 80631787) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID80631787
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-10-7-12(15(18)19)9-16-14(10)17(3)11(2)8-13-5-4-6-20-13/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMHEDYRUBGREUGE-UHFFFAOYSA-N
XLogP3.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 79487177
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488363
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
6-[ethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid;hydrochloride
CID 131844515
5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971411
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
3-amino-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzoic acid
CID 115935277
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid (CID 80631787) is 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)C(C)Cc1cccs1.
What is the InChIKey of 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is MHEDYRUBGREUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-7-12(15(18)19)9-16-14(10)17(3)11(2)8-13-5-4-6-20-13/h4-7,9,11H,8H2,1-3H3,(H,18,19).
What are the key properties of 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid?
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 80631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).