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

C15H15N3O3 — CID 104743195

IUPAC3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1C
InChIInChI=1S/C15H15N3O3/c1-9-5-6-11(8-10(9)2)17-15(21)18-12-4-3-7-16-13(12)14(19)20/h3-8H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCWWFZDGPLRNYEW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.04
Rot. Bonds3

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

3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid (PubChem CID 104743195) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
PubChem CID104743195
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1C
InChIInChI=1S/C15H15N3O3/c1-9-5-6-11(8-10(9)2)17-15(21)18-12-4-3-7-16-13(12)14(19)20/h3-8H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyCWWFZDGPLRNYEW-UHFFFAOYSA-N
XLogP3.04
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(4-methylsulfanylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743166
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743808
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
1-(3,4-dimethylphenyl)-3-[2-[2-(trifluoromethoxy)phenoxy]-3-pyridinyl]urea
CID 68529970
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid (CID 104743195) is 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid is Cc1ccc(NC(=O)Nc2cccnc2C(=O)O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is CWWFZDGPLRNYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-5-6-11(8-10(9)2)17-15(21)18-12-4-3-7-16-13(12)14(19)20/h3-8H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid?
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).