(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide

C18H17N3O2 — CID 97377783

IUPAC(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide
SMILESCOCCN(C(=O)/C=C\c1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2/c1-23-12-11-21(17-7-4-15(13-19)5-8-17)18(22)9-6-16-3-2-10-20-14-16/h2-10,14H,11-12H2,1H3/b9-6-
InChIKeyGUMRBMZBMVKGAP-TWGQIWQCSA-N
MW307.35 g/mol
LogP2.65
Rot. Bonds6

About (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide

(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 97377783) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID97377783
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide
SMILESCOCCN(C(=O)/C=C\c1cccnc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17N3O2/c1-23-12-11-21(17-7-4-15(13-19)5-8-17)18(22)9-6-16-3-2-10-20-14-16/h2-10,14H,11-12H2,1H3/b9-6-
InChIKeyGUMRBMZBMVKGAP-TWGQIWQCSA-N
XLogP2.65
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide (CID 97377783) is (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide is COCCN(C(=O)/C=C\c1cccnc1)c1ccc(C#N)cc1.
What is the InChIKey of (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is GUMRBMZBMVKGAP-TWGQIWQCSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-12-11-21(17-7-4-15(13-19)5-8-17)18(22)9-6-16-3-2-10-20-14-16/h2-10,14H,11-12H2,1H3/b9-6-.
What are the key properties of (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide?
(Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 97377783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).