4-(2,6-difluoro-4-pyridinyl)but-3-ynamide

C9H6F2N2O — CID 170474131

IUPAC4-(2,6-difluoro-4-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cc(F)nc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h4-5H,3H2,(H2,12,14)
InChIKeySNYAVURQBCWACN-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.59
Rot. Bonds1

About 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide

4-(2,6-difluoro-4-pyridinyl)but-3-ynamide (PubChem CID 170474131) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2,6-difluoro-4-pyridinyl)but-3-ynamide
PubChem CID170474131
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name4-(2,6-difluoro-4-pyridinyl)but-3-ynamide
SMILESNC(=O)CC#Cc1cc(F)nc(F)c1
InChIInChI=1S/C9H6F2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h4-5H,3H2,(H2,12,14)
InChIKeySNYAVURQBCWACN-UHFFFAOYSA-N
XLogP0.59
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide 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

4-(4-chloro-3,5-difluorophenyl)but-3-ynamide
CID 170472850
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464
5-(4-amino-4-oxobut-1-ynyl)-2-fluoropyridine-3-carboxylic acid
CID 170473449
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319
4-(5-amino-3-pyridinyl)but-3-ynamide
CID 170472473
4-(4-amino-3-fluoro-5-nitrophenyl)but-3-ynamide
CID 170473649
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-ynamide
CID 170473388
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
4-[4-(cyanomethyl)-3-fluorophenyl]but-3-ynamide
CID 170473438
4-(2-chloroquinolin-6-yl)but-3-ynamide
CID 170473790
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide (CID 170474131) is 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide is NC(=O)CC#Cc1cc(F)nc(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide?
The InChIKey is SNYAVURQBCWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-7-4-6(5-8(11)13-7)2-1-3-9(12)14/h4-5H,3H2,(H2,12,14).
What are the key properties of 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide?
4-(2,6-difluoro-4-pyridinyl)but-3-ynamide has a molecular weight of 196.16 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170474131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).