4-(4-methyl-2-pyridinyl)but-3-ynamide

C10H10N2O — CID 170472513

IUPAC4-(4-methyl-2-pyridinyl)but-3-ynamide
SMILESCc1ccnc(C#CCC(N)=O)c1
InChIInChI=1S/C10H10N2O/c1-8-5-6-12-9(7-8)3-2-4-10(11)13/h5-7H,4H2,1H3,(H2,11,13)
InChIKeyKUZWFEWUOYLQJW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.62
Rot. Bonds1

About 4-(4-methyl-2-pyridinyl)but-3-ynamide

4-(4-methyl-2-pyridinyl)but-3-ynamide (PubChem CID 170472513) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)but-3-ynamide.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)but-3-ynamide
PubChem CID170472513
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(4-methyl-2-pyridinyl)but-3-ynamide
SMILESCc1ccnc(C#CCC(N)=O)c1
InChIInChI=1S/C10H10N2O/c1-8-5-6-12-9(7-8)3-2-4-10(11)13/h5-7H,4H2,1H3,(H2,11,13)
InChIKeyKUZWFEWUOYLQJW-UHFFFAOYSA-N
XLogP0.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethyl-2-pyridinyl)but-3-ynamide
CID 170472760
4-pyrimidin-2-ylbut-3-ynamide
CID 170472431
4-(2-methyl-1H-imidazol-5-yl)but-3-ynamide
CID 170472428
6-(4-amino-4-oxobut-1-ynyl)pyridine-3-carboxylic acid
CID 170473118
4-(5-methyl-2-nitrophenyl)but-3-ynamide
CID 170474167
4-quinoxalin-2-ylbut-3-ynamide
CID 170473225
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
2-[methyl-(4-methyl-2-pyridinyl)amino]acetamide
CID 130650937
4-(3-methoxy-2-pyridinyl)but-3-ynamide
CID 170472810
4-(5-bromo-2-methylphenyl)but-3-ynamide
CID 170474091
4-(2-chloro-3-pyridinyl)but-3-ynamide
CID 170472500
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)but-3-ynamide?
The IUPAC name of 4-(4-methyl-2-pyridinyl)but-3-ynamide (CID 170472513) is 4-(4-methyl-2-pyridinyl)but-3-ynamide.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)but-3-ynamide?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)but-3-ynamide is Cc1ccnc(C#CCC(N)=O)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)but-3-ynamide?
The InChIKey is KUZWFEWUOYLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-5-6-12-9(7-8)3-2-4-10(11)13/h5-7H,4H2,1H3,(H2,11,13).
What are the key properties of 4-(4-methyl-2-pyridinyl)but-3-ynamide?
4-(4-methyl-2-pyridinyl)but-3-ynamide has a molecular weight of 174.20 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)but-3-ynamide is sourced from PubChem (CID 170472513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).