2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid

C10H12N2O2 — CID 114617456

IUPAC2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(C)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H12N2O2/c1-7(2)6-12-9-5-8(10(13)14)3-4-11-9/h3-5H,1,6H2,2H3,(H,11,12)(H,13,14)
InChIKeyDWFPCXNSTWNNOO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.77
Rot. Bonds4

About 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid

2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid (PubChem CID 114617456) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
PubChem CID114617456
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(C)CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C10H12N2O2/c1-7(2)6-12-9-5-8(10(13)14)3-4-11-9/h3-5H,1,6H2,2H3,(H,11,12)(H,13,14)
InChIKeyDWFPCXNSTWNNOO-UHFFFAOYSA-N
XLogP1.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid (CID 114617456) is 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid is C=C(C)CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The InChIKey is DWFPCXNSTWNNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(2)6-12-9-5-8(10(13)14)3-4-11-9/h3-5H,1,6H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114617456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).