(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C16H14N2O3 — CID 785883

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H14N2O3/c1-11-3-2-4-15(17-11)18-16(19)8-6-12-5-7-13-14(9-12)21-10-20-13/h2-9H,10H2,1H3,(H,17,18,19)/b8-6+
InChIKeyUEVHPZCCBWEPEN-SOFGYWHQSA-N
MW282.30 g/mol
LogP2.77
Rot. Bonds3

About (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 785883) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID785883
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H14N2O3/c1-11-3-2-4-15(17-11)18-16(19)8-6-12-5-7-13-14(9-12)21-10-20-13/h2-9H,10H2,1H3,(H,17,18,19)/b8-6+
InChIKeyUEVHPZCCBWEPEN-SOFGYWHQSA-N
XLogP2.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.77
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

N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
CID 585532
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 5548035
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-chloropyridin-2-yl)prop-2-enamide
CID 842577
3-(1,3-benzodioxol-5-yl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 844451
3-(1,3-benzodioxol-5-yl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 896750
(E)-N-(5-(3-(3-(benzo[d][1,3]dioxol-5-yl)pyrrolidin-1-yl)-3-oxoprop-1-en-1-yl)pyridin-2-yl)acetamide
CID 122243066
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
CID 651868
(2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 750489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 785883) is (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)n1.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is UEVHPZCCBWEPEN-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-3-2-4-15(17-11)18-16(19)8-6-12-5-7-13-14(9-12)21-10-20-13/h2-9H,10H2,1H3,(H,17,18,19)/b8-6+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 282.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 785883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).