N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide

C12H15FN2O2 — CID 103855656

IUPACN-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
SMILESC=CCCOCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O2/c1-2-3-7-17-8-6-14-12(16)10-4-5-11(13)15-9-10/h2,4-5,9H,1,3,6-8H2,(H,14,16)
InChIKeyWSKWXHGHTCBWBM-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.54
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide

N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 103855656) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
PubChem CID103855656
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
SMILESC=CCCOCCNC(=O)c1ccc(F)nc1
InChIInChI=1S/C12H15FN2O2/c1-2-3-7-17-8-6-14-12(16)10-4-5-11(13)15-9-10/h2,4-5,9H,1,3,6-8H2,(H,14,16)
InChIKeyWSKWXHGHTCBWBM-UHFFFAOYSA-N
XLogP1.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 106406232
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
N-(2-but-3-enoxyethyl)-1H-pyrazole-4-carboxamide
CID 103855622
N-(2-but-3-enoxyethyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114183453
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
4-(2-but-3-enoxyethylcarbamoyl)-3-fluorobenzoic acid
CID 120695948
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide (CID 103855656) is N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide is C=CCCOCCNC(=O)c1ccc(F)nc1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is WSKWXHGHTCBWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-3-7-17-8-6-14-12(16)10-4-5-11(13)15-9-10/h2,4-5,9H,1,3,6-8H2,(H,14,16).
What are the key properties of N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide?
N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103855656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).