6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid

C13H16N2O4 — CID 106406232

IUPAC6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESC=CCCOCCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H16N2O4/c1-2-3-7-19-8-6-14-12(16)11-5-4-10(9-15-11)13(17)18/h2,4-5,9H,1,3,6-8H2,(H,14,16)(H,17,18)
InChIKeyIPMMFUNVUBQFQL-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.10
Rot. Bonds8

About 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid

6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 106406232) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID106406232
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESC=CCCOCCNC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H16N2O4/c1-2-3-7-19-8-6-14-12(16)11-5-4-10(9-15-11)13(17)18/h2,4-5,9H,1,3,6-8H2,(H,14,16)(H,17,18)
InChIKeyIPMMFUNVUBQFQL-UHFFFAOYSA-N
XLogP1.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622
5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 106404852
4-(2-but-3-enoxyethylcarbamoyl)-3-fluorobenzoic acid
CID 120695948
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
6-[2-(difluoromethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 166316998
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
N-(2-but-3-enoxyethyl)-1-chloroisoquinoline-4-carboxamide
CID 106832077
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560

Frequently Asked Questions

What is the IUPAC name of 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid (CID 106406232) is 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid is C=CCCOCCNC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is IPMMFUNVUBQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-3-7-19-8-6-14-12(16)11-5-4-10(9-15-11)13(17)18/h2,4-5,9H,1,3,6-8H2,(H,14,16)(H,17,18).
What are the key properties of 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid?
6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106406232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).