4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid

C11H12N2O3 — CID 169465521

IUPAC4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
SMILESCC(=O)NCC=Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H12N2O3/c1-8(14)12-5-2-3-9-4-6-13-10(7-9)11(15)16/h2-4,6-7H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZMWYUSWQTZWRGD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.93
Rot. Bonds4

About 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid

4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid (PubChem CID 169465521) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
PubChem CID169465521
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
SMILESCC(=O)NCC=Cc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H12N2O3/c1-8(14)12-5-2-3-9-4-6-13-10(7-9)11(15)16/h2-4,6-7H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyZMWYUSWQTZWRGD-UHFFFAOYSA-N
XLogP0.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
4-(3-chloroprop-1-enyl)pyridine-2-carboxylic acid
CID 169477405
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
CID 169465102
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
4-[3-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyridine-2-carboxylic acid
CID 170808045
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid (CID 169465521) is 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid is CC(=O)NCC=Cc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid?
The InChIKey is ZMWYUSWQTZWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(14)12-5-2-3-9-4-6-13-10(7-9)11(15)16/h2-4,6-7H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid?
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169465521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).