1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one

C17H18N2O2 — CID 23738501

IUPAC1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one
SMILESCOc1ccc(C(=O)C=C(C)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-8-9-18-17(10-12)19-13(2)11-16(20)14-4-6-15(21-3)7-5-14/h4-11H,1-3H3,(H,18,19)
InChIKeyWAYHIBPPSNEWKU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one

1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one (PubChem CID 23738501) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one
PubChem CID23738501
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one
SMILESCOc1ccc(C(=O)C=C(C)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C17H18N2O2/c1-12-8-9-18-17(10-12)19-13(2)11-16(20)14-4-6-15(21-3)7-5-14/h4-11H,1-3H3,(H,18,19)
InChIKeyWAYHIBPPSNEWKU-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one 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

(E)-3-(3,4-dichloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 5408001
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
3-(4-chloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 799198
1-(4-chlorophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 799452
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 2917325
(Z)-1-(4-bromophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 5408042
3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
(E)-3-(2,5-dimethoxyanilino)-1-pyridin-4-ylbut-2-en-1-one
CID 5407929
N-[(E)-1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18859872
4-[(4-methoxyphenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19443181
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
2-(4-methoxyanilino)-N-(4-methyl-2-pyridinyl)benzamide
CID 52612517

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one (CID 23738501) is 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one is COc1ccc(C(=O)C=C(C)Nc2cc(C)ccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one?
The InChIKey is WAYHIBPPSNEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-8-9-18-17(10-12)19-13(2)11-16(20)14-4-6-15(21-3)7-5-14/h4-11H,1-3H3,(H,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one?
1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]but-2-en-1-one is sourced from PubChem (CID 23738501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).