2-(pyridine-2-carbonylamino)prop-2-enoic acid

C9H8N2O3 — CID 11095447

IUPAC2-(pyridine-2-carbonylamino)prop-2-enoic acid
SMILESC=C(NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C9H8N2O3/c1-6(9(13)14)11-8(12)7-4-2-3-5-10-7/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyXWAMIYVUBVHYKQ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.41
Rot. Bonds3

About 2-(pyridine-2-carbonylamino)prop-2-enoic acid

2-(pyridine-2-carbonylamino)prop-2-enoic acid (PubChem CID 11095447) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(pyridine-2-carbonylamino)prop-2-enoic acid.

Molecular Properties

Compound Name2-(pyridine-2-carbonylamino)prop-2-enoic acid
PubChem CID11095447
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(pyridine-2-carbonylamino)prop-2-enoic acid
SMILESC=C(NC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C9H8N2O3/c1-6(9(13)14)11-8(12)7-4-2-3-5-10-7/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKeyXWAMIYVUBVHYKQ-UHFFFAOYSA-N
XLogP0.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
2-chloro-1-pyridin-2-ylprop-2-en-1-one
CID 102256379
hafnium;pyridine-2-carboxylic acid
CID 175130925
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
europium;pyridine-2-carboxylic acid
CID 174808227
CID 175246691
CID 175246691
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
CID 3951053
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonylamino)prop-2-enoic acid?
The IUPAC name of 2-(pyridine-2-carbonylamino)prop-2-enoic acid (CID 11095447) is 2-(pyridine-2-carbonylamino)prop-2-enoic acid.
What is the SMILES notation for 2-(pyridine-2-carbonylamino)prop-2-enoic acid?
The canonical SMILES for 2-(pyridine-2-carbonylamino)prop-2-enoic acid is C=C(NC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of 2-(pyridine-2-carbonylamino)prop-2-enoic acid?
The InChIKey is XWAMIYVUBVHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-6(9(13)14)11-8(12)7-4-2-3-5-10-7/h2-5H,1H2,(H,11,12)(H,13,14).
What are the key properties of 2-(pyridine-2-carbonylamino)prop-2-enoic acid?
2-(pyridine-2-carbonylamino)prop-2-enoic acid has a molecular weight of 192.17 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-2-carbonylamino)prop-2-enoic acid is sourced from PubChem (CID 11095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).