3-phenoxy-2-pyridin-3-ylhept-2-enamide

C18H20N2O2 — CID 69128651

IUPAC3-phenoxy-2-pyridin-3-ylhept-2-enamide
SMILESCCCCC(Oc1ccccc1)=C(C(N)=O)c1cccnc1
InChIInChI=1S/C18H20N2O2/c1-2-3-11-16(22-15-9-5-4-6-10-15)17(18(19)21)14-8-7-12-20-13-14/h4-10,12-13H,2-3,11H2,1H3,(H2,19,21)
InChIKeyZUJDHBXEULAQFY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds7

About 3-phenoxy-2-pyridin-3-ylhept-2-enamide

3-phenoxy-2-pyridin-3-ylhept-2-enamide (PubChem CID 69128651) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-phenoxy-2-pyridin-3-ylhept-2-enamide.

Molecular Properties

Compound Name3-phenoxy-2-pyridin-3-ylhept-2-enamide
PubChem CID69128651
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-phenoxy-2-pyridin-3-ylhept-2-enamide
SMILESCCCCC(Oc1ccccc1)=C(C(N)=O)c1cccnc1
InChIInChI=1S/C18H20N2O2/c1-2-3-11-16(22-15-9-5-4-6-10-15)17(18(19)21)14-8-7-12-20-13-14/h4-10,12-13H,2-3,11H2,1H3,(H2,19,21)
InChIKeyZUJDHBXEULAQFY-UHFFFAOYSA-N
XLogP3.55
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
1-pyridin-3-ylundecan-1-one
CID 19756112
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
heptyl pyridine-3-carboxylate
CID 531638
butane;pyridin-3-yl carbamate
CID 69137647
benzene;pyridine-3-carboxamide
CID 66766032
dodecanoyl pyridine-3-carboxylate
CID 23450156
butanedioic acid;pyridine-3-carboxamide
CID 159465776
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
dioctadecyl 2-(dipyridin-3-ylmethylidene)propanedioate
CID 102008253

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-2-pyridin-3-ylhept-2-enamide?
The IUPAC name of 3-phenoxy-2-pyridin-3-ylhept-2-enamide (CID 69128651) is 3-phenoxy-2-pyridin-3-ylhept-2-enamide.
What is the SMILES notation for 3-phenoxy-2-pyridin-3-ylhept-2-enamide?
The canonical SMILES for 3-phenoxy-2-pyridin-3-ylhept-2-enamide is CCCCC(Oc1ccccc1)=C(C(N)=O)c1cccnc1.
What is the InChIKey of 3-phenoxy-2-pyridin-3-ylhept-2-enamide?
The InChIKey is ZUJDHBXEULAQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-3-11-16(22-15-9-5-4-6-10-15)17(18(19)21)14-8-7-12-20-13-14/h4-10,12-13H,2-3,11H2,1H3,(H2,19,21).
What are the key properties of 3-phenoxy-2-pyridin-3-ylhept-2-enamide?
3-phenoxy-2-pyridin-3-ylhept-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-2-pyridin-3-ylhept-2-enamide is sourced from PubChem (CID 69128651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).