3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

C11H11N5O4 — CID 106402593

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2cccnc2C(=O)O)no1
InChIInChI=1S/C11H11N5O4/c1-6-14-8(16-20-6)5-13-11(19)15-7-3-2-4-12-9(7)10(17)18/h2-4H,5H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyNECJWZIDJSSCTJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.79
Rot. Bonds4

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 106402593) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID106402593
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2cccnc2C(=O)O)no1
InChIInChI=1S/C11H11N5O4/c1-6-14-8(16-20-6)5-13-11(19)15-7-3-2-4-12-9(7)10(17)18/h2-4H,5H2,1H3,(H,17,18)(H2,13,15,19)
InChIKeyNECJWZIDJSSCTJ-UHFFFAOYSA-N
XLogP0.79
TPSA130.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402704
5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402962
4-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402692
4-chloro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402682
3-[(5-bromothiophen-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743674
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402619
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 106402593) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is Cc1nc(CNC(=O)Nc2cccnc2C(=O)O)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is NECJWZIDJSSCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-6-14-8(16-20-6)5-13-11(19)15-7-3-2-4-12-9(7)10(17)18/h2-4H,5H2,1H3,(H,17,18)(H2,13,15,19).
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106402593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).