(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one

C14H12N2O — CID 5310821

IUPAC(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-11H,(H,15,16)/b11-9-
InChIKeyWXSJJFDDJPPOOO-LUAWRHEFSA-N
MW224.26 g/mol
LogP2.89
Rot. Bonds4

About (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one

(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one (PubChem CID 5310821) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
PubChem CID5310821
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccn1)c1ccccc1
InChIInChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-11H,(H,15,16)/b11-9-
InChIKeyWXSJJFDDJPPOOO-LUAWRHEFSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-phenylprop-2-en-1-one
CID 18531510
(E)-1-(2,4-dichlorophenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 27191231
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 41098843
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
CID 2244710
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
(E)-1-(4-chlorophenyl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 39346468
(E)-3-(2-iodoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 2260334
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The IUPAC name of (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one (CID 5310821) is (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The canonical SMILES for (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one is O=C(/C=C\Nc1ccccn1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The InChIKey is WXSJJFDDJPPOOO-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H12N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-11H,(H,15,16)/b11-9-.
What are the key properties of (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one is sourced from PubChem (CID 5310821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).