2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid

C9H10N2O2 — CID 140981095

IUPAC2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(NC)nc1
InChIInChI=1S/C9H10N2O2/c1-6(9(12)13)7-3-4-8(10-2)11-5-7/h3-5H,1H2,2H3,(H,10,11)(H,12,13)
InChIKeySUFWUCDGTLHKQW-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.22
Rot. Bonds3

About 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid

2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid (PubChem CID 140981095) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid
PubChem CID140981095
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccc(NC)nc1
InChIInChI=1S/C9H10N2O2/c1-6(9(12)13)7-3-4-8(10-2)11-5-7/h3-5H,1H2,2H3,(H,10,11)(H,12,13)
InChIKeySUFWUCDGTLHKQW-UHFFFAOYSA-N
XLogP1.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic 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

6-(methylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172274
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
N-(cyanomethyl)-6-(methylamino)pyridine-3-carboxamide
CID 126986999
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
N-methyl-6-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62168719
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
N-(2,2-dimethylpropyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62177743
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid (CID 140981095) is 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid is C=C(C(=O)O)c1ccc(NC)nc1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is SUFWUCDGTLHKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(9(12)13)7-3-4-8(10-2)11-5-7/h3-5H,1H2,2H3,(H,10,11)(H,12,13).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid?
2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 178.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 140981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).