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

C17H17N3O3 — CID 3102804

IUPACN-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCO)C(=Cc1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O3/c21-10-9-19-17(23)15(11-13-5-4-8-18-12-13)20-16(22)14-6-2-1-3-7-14/h1-8,11-12,21H,9-10H2,(H,19,23)(H,20,22)
InChIKeyJKNUNWZGIVEWJJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.96
Rot. Bonds6

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

N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (PubChem CID 3102804) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
PubChem CID3102804
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCCO)C(=Cc1cccnc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O3/c21-10-9-19-17(23)15(11-13-5-4-8-18-12-13)20-16(22)14-6-2-1-3-7-14/h1-8,11-12,21H,9-10H2,(H,19,23)(H,20,22)
InChIKeyJKNUNWZGIVEWJJ-UHFFFAOYSA-N
XLogP0.96
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-(3-ethoxypropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 46499189
N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 92967070
N-[(E)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 7303980
N-[1-(2-fluorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2860308
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
[4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 5341103
N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22787783
N-[1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 4279184
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2909911
2-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]acetic acid
CID 13436685

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide (CID 3102804) is N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is O=C(NCCO)C(=Cc1cccnc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
The InChIKey is JKNUNWZGIVEWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-10-9-19-17(23)15(11-13-5-4-8-18-12-13)20-16(22)14-6-2-1-3-7-14/h1-8,11-12,21H,9-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide?
N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3102804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).