N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

C22H19N3O2 — CID 2176997

IUPACN-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-15H,16H2,(H,24,27)(H,25,26)/b20-14-
InChIKeySELNLCCRSBPFJK-ZHZULCJRSA-N
MW357.41 g/mol
LogP3.17
Rot. Bonds6

About N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide (PubChem CID 2176997) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
PubChem CID2176997
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCc1cccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-15H,16H2,(H,24,27)(H,25,26)/b20-14-
InChIKeySELNLCCRSBPFJK-ZHZULCJRSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide (CID 2176997) is N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide is O=C(NCc1cccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is SELNLCCRSBPFJK-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-15H,16H2,(H,24,27)(H,25,26)/b20-14-.
What are the key properties of N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 2176997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).