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

C14H16N2O3 — CID 43453017

IUPAC6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H16N2O3/c1-4-8-16(9-5-2)13(17)12-7-6-11(14(18)19)10(3)15-12/h4-7H,1-2,8-9H2,3H3,(H,18,19)
InChIKeyGPUHKTDOHQPQKG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.90
Rot. Bonds6

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

6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 43453017) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID43453017
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESC=CCN(CC=C)C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H16N2O3/c1-4-8-16(9-5-2)13(17)12-7-6-11(14(18)19)10(3)15-12/h4-7H,1-2,8-9H2,3H3,(H,18,19)
InChIKeyGPUHKTDOHQPQKG-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.90
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

6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 79385788
6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62338580
6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
2-methyl-6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43570535
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869
2-[prop-2-enyl(quinoline-2-carbonyl)amino]acetic acid
CID 79265584
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
5-methyl-N,N-bis(prop-2-enyl)-1,2-oxazole-3-carboxamide
CID 25237561
2-phenyl-N,N-bis(prop-2-enyl)-1,3-thiazole-4-carboxamide
CID 134022260
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61466256
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825
6-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl-methylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 138045593

Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 43453017) is 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is C=CCN(CC=C)C(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is GPUHKTDOHQPQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-8-16(9-5-2)13(17)12-7-6-11(14(18)19)10(3)15-12/h4-7H,1-2,8-9H2,3H3,(H,18,19).
What are the key properties of 6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[bis(prop-2-enyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.90, 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]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).