N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

C22H26N4O3 — CID 7289709

IUPACN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCCN1CCOCC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N4O3/c27-21(19-7-2-1-3-8-19)25-20(16-18-6-4-9-23-17-18)22(28)24-10-5-11-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2,(H,24,28)(H,25,27)/b20-16-
InChIKeyPZKNRUQPGZBTKW-SILNSSARSA-N
MW394.48 g/mol
LogP1.69
Rot. Bonds8

About N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide

N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 7289709) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID7289709
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCCN1CCOCC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H26N4O3/c27-21(19-7-2-1-3-8-19)25-20(16-18-6-4-9-23-17-18)22(28)24-10-5-11-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2,(H,24,28)(H,25,27)/b20-16-
InChIKeyPZKNRUQPGZBTKW-SILNSSARSA-N
XLogP1.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 7289709) is N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is O=C(NCCCN1CCOCC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is PZKNRUQPGZBTKW-SILNSSARSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(19-7-2-1-3-8-19)25-20(16-18-6-4-9-23-17-18)22(28)24-10-5-11-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2,(H,24,28)(H,25,27)/b20-16-.
What are the key properties of N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(3-morpholin-4-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 7289709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).