(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one

C18H19N3O2 — CID 10566847

IUPAC(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
SMILESO=C(/C=C(\Nc1ccccn1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-16(15-6-2-1-3-7-15)14-18(21-10-12-23-13-11-21)20-17-8-4-5-9-19-17/h1-9,14H,10-13H2,(H,19,20)/b18-14+
InChIKeyBENFAHNMJGYZGN-NBVRZTHBSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds5

About (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one

(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one (PubChem CID 10566847) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
PubChem CID10566847
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
SMILESO=C(/C=C(\Nc1ccccn1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-16(15-6-2-1-3-7-15)14-18(21-10-12-23-13-11-21)20-17-8-4-5-9-19-17/h1-9,14H,10-13H2,(H,19,20)/b18-14+
InChIKeyBENFAHNMJGYZGN-NBVRZTHBSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-[4-(morpholine-4-carbonyl)piperazin-1-yl]-N-pyridin-2-ylpyrazine-2-carboxamide
CID 66745239
3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-pyridin-2-ylbenzamide
CID 136519786
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
CID 134096374
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
(2-anilino-3-pyridinyl)-morpholin-4-ylmethanone
CID 1440870
N-[(E)-3-morpholin-4-yl-3-oxo-1-phenyl-1-pyridin-2-ylsulfanylprop-1-en-2-yl]benzamide
CID 1097555
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061
N-phenylmorpholine-4-carbothioamide
CID 139054920
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403

Frequently Asked Questions

What is the IUPAC name of (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The IUPAC name of (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one (CID 10566847) is (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The canonical SMILES for (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one is O=C(/C=C(\Nc1ccccn1)N1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
The InChIKey is BENFAHNMJGYZGN-NBVRZTHBSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-16(15-6-2-1-3-7-15)14-18(21-10-12-23-13-11-21)20-17-8-4-5-9-19-17/h1-9,14H,10-13H2,(H,19,20)/b18-14+.
What are the key properties of (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one?
(E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one has a molecular weight of 309.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-morpholin-4-yl-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one is sourced from PubChem (CID 10566847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).