3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide

C18H16N2O2 — CID 78832927

IUPAC3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccnc1)C(=O)C=Cc1cc2ccccc2o1
InChIInChI=1S/C18H16N2O2/c1-20(13-14-5-4-10-19-12-14)18(21)9-8-16-11-15-6-2-3-7-17(15)22-16/h2-12H,13H2,1H3
InChIKeyURRHUWRFLOLDFY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.50
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide

3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 78832927) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID78832927
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccnc1)C(=O)C=Cc1cc2ccccc2o1
InChIInChI=1S/C18H16N2O2/c1-20(13-14-5-4-10-19-12-14)18(21)9-8-16-11-15-6-2-3-7-17(15)22-16/h2-12H,13H2,1H3
InChIKeyURRHUWRFLOLDFY-UHFFFAOYSA-N
XLogP3.50
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1-benzofuran-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 31850646
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78836517
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
5-bromo-N-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 86980541
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770908
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
N-methyl-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42098920

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 78832927) is 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide is CN(Cc1cccnc1)C(=O)C=Cc1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is URRHUWRFLOLDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20(13-14-5-4-10-19-12-14)18(21)9-8-16-11-15-6-2-3-7-17(15)22-16/h2-12H,13H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide?
3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 78832927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).