3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide

C14H19N3O2 — CID 113120148

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C14H19N3O2/c1-3-8-16-14(19)7-10-17(12(2)18)11-13-6-4-5-9-15-13/h3-6,9H,1,7-8,10-11H2,2H3,(H,16,19)
InChIKeyJFULAGWGLCYCAB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.12
Rot. Bonds7

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide (PubChem CID 113120148) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
PubChem CID113120148
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C14H19N3O2/c1-3-8-16-14(19)7-10-17(12(2)18)11-13-6-4-5-9-15-13/h3-6,9H,1,7-8,10-11H2,2H3,(H,16,19)
InChIKeyJFULAGWGLCYCAB-UHFFFAOYSA-N
XLogP1.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide (CID 113120148) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(Cc1ccccn1)C(C)=O.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is JFULAGWGLCYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-8-16-14(19)7-10-17(12(2)18)11-13-6-4-5-9-15-13/h3-6,9H,1,7-8,10-11H2,2H3,(H,16,19).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 113120148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).