N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide

C15H20N2O — CID 155002839

IUPACN-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
SMILESC=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1
InChIInChI=1S/C15H20N2O/c1-5-10-17(12(4)18)15-9-8-14(11-16-15)13(6-2)7-3/h6-9,11H,2,5,10H2,1,3-4H3/b13-7+
InChIKeyUGTNDOJQMNIXDS-NTUHNPAUSA-N
MW244.34 g/mol
LogP3.43
Rot. Bonds5

About N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide

N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide (PubChem CID 155002839) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
PubChem CID155002839
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
SMILESC=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1
InChIInChI=1S/C15H20N2O/c1-5-10-17(12(4)18)15-9-8-14(11-16-15)13(6-2)7-3/h6-9,11H,2,5,10H2,1,3-4H3/b13-7+
InChIKeyUGTNDOJQMNIXDS-NTUHNPAUSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide 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

N-[6-methyl-5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
CID 155002812
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645
N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide
CID 56688570
1-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]-methylamino]-3-pyridinyl]ethanone
CID 170568826
ethyl 6-[2-hydroxyethyl(propyl)amino]pyridine-3-carboxylate
CID 61425576
6-[ethyl(2-methylpropanoyl)amino]pyridine-3-carboxylic acid
CID 115268236
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
N-(3-acetamidophenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161832
CID 140659718
CID 140659718
N,N-diethyl-5-prop-1-en-2-ylpyridin-2-amine;ethane
CID 142541478
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
CID 70906617

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The IUPAC name of N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide (CID 155002839) is N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide.
What is the SMILES notation for N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The canonical SMILES for N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide is C=C/C(=C\C)c1ccc(N(CCC)C(C)=O)nc1.
What is the InChIKey of N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
The InChIKey is UGTNDOJQMNIXDS-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-10-17(12(4)18)15-9-8-14(11-16-15)13(6-2)7-3/h6-9,11H,2,5,10H2,1,3-4H3/b13-7+.
What are the key properties of N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide?
N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide has a molecular weight of 244.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 155002839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).