(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide

C26H21N3O2 — CID 166632185

IUPAC(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-24(15-13-19-12-14-20-7-4-5-10-22(20)17-19)29-25(21-8-2-1-3-9-21)26(31)28-23-11-6-16-27-18-23/h1-18,25H,(H,28,31)(H,29,30)/b15-13+
InChIKeyKLTSHPBMFJYZKJ-FYWRMAATSA-N
MW407.47 g/mol
LogP4.74
Rot. Bonds6

About (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide

(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide (PubChem CID 166632185) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide
PubChem CID166632185
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C26H21N3O2/c30-24(15-13-19-12-14-20-7-4-5-10-22(20)17-19)29-25(21-8-2-1-3-9-21)26(31)28-23-11-6-16-27-18-23/h1-18,25H,(H,28,31)(H,29,30)/b15-13+
InChIKeyKLTSHPBMFJYZKJ-FYWRMAATSA-N
XLogP4.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-naphthalen-2-yloxy-N-pyridin-3-ylbutanamide
CID 92679830
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
methyl 2-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoylamino]acetate
CID 76878914
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
3-(1,3-benzodioxol-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 694814
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide (CID 166632185) is (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)NC(C(=O)Nc1cccnc1)c1ccccc1.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide?
The InChIKey is KLTSHPBMFJYZKJ-FYWRMAATSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-24(15-13-19-12-14-20-7-4-5-10-22(20)17-19)29-25(21-8-2-1-3-9-21)26(31)28-23-11-6-16-27-18-23/h1-18,25H,(H,28,31)(H,29,30)/b15-13+.
What are the key properties of (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[2-oxo-1-phenyl-2-(pyridin-3-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 166632185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).