5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid

C11H13N3O3 — CID 114618025

IUPAC5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
SMILESC=C(C)CNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H13N3O3/c1-7(2)4-13-11(17)14-9-3-8(10(15)16)5-12-6-9/h3,5-6H,1,4H2,2H3,(H,15,16)(H2,13,14,17)
InChIKeyWWPCGINDMCOICH-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.48
Rot. Bonds4

About 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid

5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid (PubChem CID 114618025) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
PubChem CID114618025
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
SMILESC=C(C)CNC(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C11H13N3O3/c1-7(2)4-13-11(17)14-9-3-8(10(15)16)5-12-6-9/h3,5-6H,1,4H2,2H3,(H,15,16)(H2,13,14,17)
InChIKeyWWPCGINDMCOICH-UHFFFAOYSA-N
XLogP1.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-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

5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
5-(3,3-dimethylbutan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 113457986
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid (CID 114618025) is 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid is C=C(C)CNC(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid?
The InChIKey is WWPCGINDMCOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(2)4-13-11(17)14-9-3-8(10(15)16)5-12-6-9/h3,5-6H,1,4H2,2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid?
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114618025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).