2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide

C15H17N3O — CID 71986640

IUPAC2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESC#CCN(CC#CC)CC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c1-3-5-10-18(9-4-2)13-15(19)17-12-14-7-6-8-16-11-14/h2,6-8,11H,9-10,12-13H2,1H3,(H,17,19)
InChIKeyUVPGQGWKHVWQTG-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.66
Rot. Bonds6

About 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide

2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 71986640) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID71986640
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESC#CCN(CC#CC)CC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c1-3-5-10-18(9-4-2)13-15(19)17-12-14-7-6-8-16-11-14/h2,6-8,11H,9-10,12-13H2,1H3,(H,17,19)
InChIKeyUVPGQGWKHVWQTG-UHFFFAOYSA-N
XLogP0.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide 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

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-methyl-3-[prop-2-ynyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82330734
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
1,1-dimethyl-3-(pyridin-3-ylmethyl)thiourea
CID 2731465

Frequently Asked Questions

What is the IUPAC name of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide (CID 71986640) is 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide is C#CCN(CC#CC)CC(=O)NCc1cccnc1.
What is the InChIKey of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UVPGQGWKHVWQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-5-10-18(9-4-2)13-15(19)17-12-14-7-6-8-16-11-14/h2,6-8,11H,9-10,12-13H2,1H3,(H,17,19).
What are the key properties of 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-ynyl(prop-2-ynyl)amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 71986640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).