6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid

C13H14N2O3 — CID 43427357

IUPAC6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H14N2O3/c1-3-7-15(8-4-2)12(16)11-6-5-10(9-14-11)13(17)18/h3-6,9H,1-2,7-8H2,(H,17,18)
InChIKeyBWGWMNSEAVPERM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.59
Rot. Bonds6

About 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid

6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43427357) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43427357
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H14N2O3/c1-3-7-15(8-4-2)12(16)11-6-5-10(9-14-11)13(17)18/h3-6,9H,1-2,7-8H2,(H,17,18)
InChIKeyBWGWMNSEAVPERM-UHFFFAOYSA-N
XLogP1.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 47460235
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetic acid
CID 104638328
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453017
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
6-[2-cyanopropyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54979268
6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 106406232
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273

Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid (CID 43427357) is 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid is C=CCN(CC=C)C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BWGWMNSEAVPERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-7-15(8-4-2)12(16)11-6-5-10(9-14-11)13(17)18/h3-6,9H,1-2,7-8H2,(H,17,18).
What are the key properties of 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid?
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43427357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).