N-pyridin-3-ylprop-2-ynamide

C8H6N2O — CID 130904210

IUPACN-pyridin-3-ylprop-2-ynamide
SMILESC#CC(=O)Nc1cccnc1
InChIInChI=1S/C8H6N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h1,3-6H,(H,10,11)
InChIKeyDMCPGAUBVFODDK-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.65
Rot. Bonds1

About N-pyridin-3-ylprop-2-ynamide

N-pyridin-3-ylprop-2-ynamide (PubChem CID 130904210) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is N-pyridin-3-ylprop-2-ynamide.

Molecular Properties

Compound NameN-pyridin-3-ylprop-2-ynamide
PubChem CID130904210
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC NameN-pyridin-3-ylprop-2-ynamide
SMILESC#CC(=O)Nc1cccnc1
InChIInChI=1S/C8H6N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h1,3-6H,(H,10,11)
InChIKeyDMCPGAUBVFODDK-UHFFFAOYSA-N
XLogP0.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.65
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

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1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
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N-(3-methylbut-2-en-2-yl)pyridin-3-amine
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[4-[[2-oxo-2-(pyridin-3-ylamino)acetyl]amino]phenyl] thiocyanate
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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylprop-2-ynamide?
The IUPAC name of N-pyridin-3-ylprop-2-ynamide (CID 130904210) is N-pyridin-3-ylprop-2-ynamide.
What is the SMILES notation for N-pyridin-3-ylprop-2-ynamide?
The canonical SMILES for N-pyridin-3-ylprop-2-ynamide is C#CC(=O)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-ylprop-2-ynamide?
The InChIKey is DMCPGAUBVFODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h1,3-6H,(H,10,11).
What are the key properties of N-pyridin-3-ylprop-2-ynamide?
N-pyridin-3-ylprop-2-ynamide has a molecular weight of 146.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylprop-2-ynamide is sourced from PubChem (CID 130904210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).