4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide

C11H12N2O — CID 170472760

IUPAC4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
SMILESCc1cnc(C#CCC(N)=O)c(C)c1
InChIInChI=1S/C11H12N2O/c1-8-6-9(2)10(13-7-8)4-3-5-11(12)14/h6-7H,5H2,1-2H3,(H2,12,14)
InChIKeyQEPMAKYFINPEAJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.93
Rot. Bonds1

About 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide

4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide (PubChem CID 170472760) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
PubChem CID170472760
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
SMILESCc1cnc(C#CCC(N)=O)c(C)c1
InChIInChI=1S/C11H12N2O/c1-8-6-9(2)10(13-7-8)4-3-5-11(12)14/h6-7H,5H2,1-2H3,(H2,12,14)
InChIKeyQEPMAKYFINPEAJ-UHFFFAOYSA-N
XLogP0.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethyl-2-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-methyl-2-pyridinyl)but-3-ynamide
CID 170472513
4-(6-amino-5-methyl-3-pyridinyl)but-3-ynamide
CID 170472675
4-(3-amino-5-chloro-2-pyridinyl)but-3-ynamide
CID 170472669
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
4-(2-methyl-1H-imidazol-5-yl)but-3-ynamide
CID 170472428
4-(4,5-diamino-2-methylphenyl)but-3-ynamide
CID 170472996
4-(2-ethoxypyrimidin-5-yl)but-3-ynamide
CID 170473023
4-(5,6-diamino-4-methyl-3-pyridinyl)but-3-ynamide
CID 170473161
4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
6-(4-amino-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170473118
4-(2-methoxypyrimidin-5-yl)but-3-ynamide
CID 170472712
4-(2-fluoropyrimidin-5-yl)but-3-ynamide
CID 170472464

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide (CID 170472760) is 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide is Cc1cnc(C#CCC(N)=O)c(C)c1.
What is the InChIKey of 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide?
The InChIKey is QEPMAKYFINPEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-6-9(2)10(13-7-8)4-3-5-11(12)14/h6-7H,5H2,1-2H3,(H2,12,14).
What are the key properties of 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide?
4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide has a molecular weight of 188.23 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).