(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide

C15H15N3O — CID 115344230

IUPAC(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)c1cccnc1
InChIInChI=1S/C15H15N3O/c1-18(14-3-2-10-17-11-14)15(19)9-6-12-4-7-13(16)8-5-12/h2-11H,16H2,1H3/b9-6+
InChIKeyYQUTZTHDVSIHQK-RMKNXTFCSA-N
MW253.31 g/mol
LogP2.34
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide

(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide (PubChem CID 115344230) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
PubChem CID115344230
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(N)cc1)c1cccnc1
InChIInChI=1S/C15H15N3O/c1-18(14-3-2-10-17-11-14)15(19)9-6-12-4-7-13(16)8-5-12/h2-11H,16H2,1H3/b9-6+
InChIKeyYQUTZTHDVSIHQK-RMKNXTFCSA-N
XLogP2.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide (CID 115344230) is (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide is CN(C(=O)/C=C/c1ccc(N)cc1)c1cccnc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide?
The InChIKey is YQUTZTHDVSIHQK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(14-3-2-10-17-11-14)15(19)9-6-12-4-7-13(16)8-5-12/h2-11H,16H2,1H3/b9-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide has a molecular weight of 253.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 115344230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).