3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid

C14H13N3O3S — CID 104743166

IUPAC3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCSc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O3S/c1-21-10-6-4-9(5-7-10)16-14(20)17-11-3-2-8-15-12(11)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXXDLVHJLCSEQMQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.15
Rot. Bonds4

About 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid

3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743166) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743166
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCSc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1
InChIInChI=1S/C14H13N3O3S/c1-21-10-6-4-9(5-7-10)16-14(20)17-11-3-2-8-15-12(11)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXXDLVHJLCSEQMQ-UHFFFAOYSA-N
XLogP3.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447864
3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743166) is 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid is CSc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is XXDLVHJLCSEQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-21-10-6-4-9(5-7-10)16-14(20)17-11-3-2-8-15-12(11)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).