2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid

C11H12N2O3 — CID 155344012

IUPAC2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid
SMILESCN(C)C=CC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-13(2)7-5-9(14)10-8(11(15)16)4-3-6-12-10/h3-7H,1-2H3,(H,15,16)
InChIKeyZVVPDQPGDQNGLI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.04
Rot. Bonds4

About 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid

2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid (PubChem CID 155344012) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid
PubChem CID155344012
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid
SMILESCN(C)C=CC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H12N2O3/c1-13(2)7-5-9(14)10-8(11(15)16)4-3-6-12-10/h3-7H,1-2H3,(H,15,16)
InChIKeyZVVPDQPGDQNGLI-UHFFFAOYSA-N
XLogP1.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-chloro-2-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
CID 23537002
pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(dimethylamino)-1-(3-methylpyrazin-2-yl)prop-2-en-1-one
CID 3308641
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid (CID 155344012) is 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid is CN(C)C=CC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid?
The InChIKey is ZVVPDQPGDQNGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13(2)7-5-9(14)10-8(11(15)16)4-3-6-12-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid?
2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)prop-2-enoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 155344012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).