(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide

C19H22N2O — CID 2288424

IUPAC(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide
SMILESCCCCCc1ccc(-c2ccc(/C=C/C(N)=O)cc2)nc1
InChIInChI=1S/C19H22N2O/c1-2-3-4-5-16-8-12-18(21-14-16)17-10-6-15(7-11-17)9-13-19(20)22/h6-14H,2-5H2,1H3,(H2,20,22)/b13-9+
InChIKeyYALIPMYQZOWTDL-UKTHLTGXSA-N
MW294.40 g/mol
LogP3.98
Rot. Bonds7

About (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide

(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide (PubChem CID 2288424) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide
PubChem CID2288424
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide
SMILESCCCCCc1ccc(-c2ccc(/C=C/C(N)=O)cc2)nc1
InChIInChI=1S/C19H22N2O/c1-2-3-4-5-16-8-12-18(21-14-16)17-10-6-15(7-11-17)9-13-19(20)22/h6-14H,2-5H2,1H3,(H2,20,22)/b13-9+
InChIKeyYALIPMYQZOWTDL-UKTHLTGXSA-N
XLogP3.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide (CID 2288424) is (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide is CCCCCc1ccc(-c2ccc(/C=C/C(N)=O)cc2)nc1.
What is the InChIKey of (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide?
The InChIKey is YALIPMYQZOWTDL-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-3-4-5-16-8-12-18(21-14-16)17-10-6-15(7-11-17)9-13-19(20)22/h6-14H,2-5H2,1H3,(H2,20,22)/b13-9+.
What are the key properties of (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide?
(E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(5-pentyl-2-pyridinyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).