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

C20H23N3O3 — CID 46499189

IUPACN-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESCCOCCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-26-13-7-12-22-20(25)18(14-16-8-6-11-21-15-16)23-19(24)17-9-4-3-5-10-17/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,22,25)(H,23,24)/b18-14-
InChIKeyXLMYPPILYZCWJX-JXAWBTAJSA-N
MW353.42 g/mol
LogP2.40
Rot. Bonds9

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

N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 46499189) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID46499189
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESCCOCCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-26-13-7-12-22-20(25)18(14-16-8-6-11-21-15-16)23-19(24)17-9-4-3-5-10-17/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,22,25)(H,23,24)/b18-14-
InChIKeyXLMYPPILYZCWJX-JXAWBTAJSA-N
XLogP2.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 3102804
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
N-[1-(4-methoxyphenyl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3726338
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
N-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
6-[(2-benzamido-3-phenylprop-2-enoyl)amino]hexanoic acid
CID 3143045
4-methoxy-N-[(E)-3-oxo-1-phenyl-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2131950
N-[(Z)-1-(4-bromophenyl)-3-(butylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2177079
4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2175993
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2909911
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 4279184

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 46499189) is N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is CCOCCCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is XLMYPPILYZCWJX-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-13-7-12-22-20(25)18(14-16-8-6-11-21-15-16)23-19(24)17-9-4-3-5-10-17/h3-6,8-11,14-15H,2,7,12-13H2,1H3,(H,22,25)(H,23,24)/b18-14-.
What are the key properties of N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 46499189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).