(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide

C18H20N2O3 — CID 20701430

IUPAC(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCOc1ccc(CN(C)C(=O)/C=C/c2cccnc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-20(18(21)9-7-14-5-4-10-19-12-14)13-15-6-8-16(22-2)17(11-15)23-3/h4-12H,13H2,1-3H3/b9-7+
InChIKeyHOIFFGYKGILBPW-VQHVLOKHSA-N
MW312.37 g/mol
LogP2.77
Rot. Bonds6

About (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide

(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701430) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
PubChem CID20701430
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
SMILESCOc1ccc(CN(C)C(=O)/C=C/c2cccnc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-20(18(21)9-7-14-5-4-10-19-12-14)13-15-6-8-16(22-2)17(11-15)23-3/h4-12H,13H2,1-3H3/b9-7+
InChIKeyHOIFFGYKGILBPW-VQHVLOKHSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide (CID 20701430) is (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide is COc1ccc(CN(C)C(=O)/C=C/c2cccnc2)cc1OC.
What is the InChIKey of (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is HOIFFGYKGILBPW-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(18(21)9-7-14-5-4-10-19-12-14)13-15-6-8-16(22-2)17(11-15)23-3/h4-12H,13H2,1-3H3/b9-7+.
What are the key properties of (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).