ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate

C17H18N2O2 — CID 101426393

IUPACethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(=C(\N)c1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-3-21-17(20)15(14-6-4-5-12(2)11-14)16(18)13-7-9-19-10-8-13/h4-11H,3,18H2,1-2H3/b16-15-
InChIKeyJWIKRHSAOMYPMM-NXVVXOECSA-N
MW282.34 g/mol
LogP2.78
Rot. Bonds4

About ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate

ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate (PubChem CID 101426393) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate
PubChem CID101426393
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(=C(\N)c1ccncc1)c1cccc(C)c1
InChIInChI=1S/C17H18N2O2/c1-3-21-17(20)15(14-6-4-5-12(2)11-14)16(18)13-7-9-19-10-8-13/h4-11H,3,18H2,1-2H3/b16-15-
InChIKeyJWIKRHSAOMYPMM-NXVVXOECSA-N
XLogP2.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
ethyl (Z)-3-amino-3-(4-methylsulfonylphenyl)-2-phenylprop-2-enoate
CID 142816161
ethane;1-O-ethyl 2-O-(pyridin-4-ylmethyl) oxalate
CID 145065639
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
diethyl 2-[amino-(4-methylphenyl)methylidene]propanedioate
CID 174582016
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
hydroxymethyl 3-methylbenzoate
CID 54320661
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-[amino-(3-methylphenyl)methylidene]-2-chloropyridine-4-carboxamide
CID 2800228

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate (CID 101426393) is ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate is CCOC(=O)/C(=C(\N)c1ccncc1)c1cccc(C)c1.
What is the InChIKey of ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate?
The InChIKey is JWIKRHSAOMYPMM-NXVVXOECSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-17(20)15(14-6-4-5-12(2)11-14)16(18)13-7-9-19-10-8-13/h4-11H,3,18H2,1-2H3/b16-15-.
What are the key properties of ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate?
ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-amino-2-(3-methylphenyl)-3-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 101426393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).