4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid

C10H12N2O2 — CID 114617444

IUPAC4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
SMILESC=C(C)CNc1ccncc1C(=O)O
InChIInChI=1S/C10H12N2O2/c1-7(2)5-12-9-3-4-11-6-8(9)10(13)14/h3-4,6H,1,5H2,2H3,(H,11,12)(H,13,14)
InChIKeyGYHMBDCQNBPIRS-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.77
Rot. Bonds4

About 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid

4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid (PubChem CID 114617444) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
PubChem CID114617444
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
SMILESC=C(C)CNc1ccncc1C(=O)O
InChIInChI=1S/C10H12N2O2/c1-7(2)5-12-9-3-4-11-6-8(9)10(13)14/h3-4,6H,1,5H2,2H3,(H,11,12)(H,13,14)
InChIKeyGYHMBDCQNBPIRS-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

4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 81243923

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid (CID 114617444) is 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid is C=C(C)CNc1ccncc1C(=O)O.
What is the InChIKey of 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid?
The InChIKey is GYHMBDCQNBPIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(2)5-12-9-3-4-11-6-8(9)10(13)14/h3-4,6H,1,5H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid?
4-(2-methylprop-2-enylamino)pyridine-3-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 4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114617444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).