5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid

C14H15ClN2O2S — CID 80528307

IUPAC5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1ncc(C(=O)O)cc1Cl)c1cccs1
InChIInChI=1S/C14H15ClN2O2S/c1-14(2,11-4-3-5-20-11)8-17-12-10(15)6-9(7-16-12)13(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRSWYWLUNHOKJGT-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.88
Rot. Bonds5

About 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 80528307) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID80528307
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
SMILESCC(C)(CNc1ncc(C(=O)O)cc1Cl)c1cccs1
InChIInChI=1S/C14H15ClN2O2S/c1-14(2,11-4-3-5-20-11)8-17-12-10(15)6-9(7-16-12)13(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRSWYWLUNHOKJGT-UHFFFAOYSA-N
XLogP3.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 80524375
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
4,6-dimethyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80522433
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
5-chloro-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114136292
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-4-carboxylic acid
CID 107554215
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 78963068
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
4-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-5-carbaldehyde
CID 80527583

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid (CID 80528307) is 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid is CC(C)(CNc1ncc(C(=O)O)cc1Cl)c1cccs1.
What is the InChIKey of 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RSWYWLUNHOKJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-14(2,11-4-3-5-20-11)8-17-12-10(15)6-9(7-16-12)13(18)19/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 310.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 80528307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).