3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide

C17H18N2O3 — CID 24538483

IUPAC3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-3-9-22-15-7-6-14(10-16(15)21-2)17(20)19-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3,(H,19,20)
InChIKeyMWGQVBZVBIUXQC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.59
Rot. Bonds7

About 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide

3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24538483) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID24538483
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESC=CCOc1ccc(C(=O)NCc2cccnc2)cc1OC
InChIInChI=1S/C17H18N2O3/c1-3-9-22-15-7-6-14(10-16(15)21-2)17(20)19-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3,(H,19,20)
InChIKeyMWGQVBZVBIUXQC-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
pyridin-3-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate
CID 78829849
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
CID 47019688
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide (CID 24538483) is 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide is C=CCOc1ccc(C(=O)NCc2cccnc2)cc1OC.
What is the InChIKey of 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MWGQVBZVBIUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-9-22-15-7-6-14(10-16(15)21-2)17(20)19-12-13-5-4-8-18-11-13/h3-8,10-11H,1,9,12H2,2H3,(H,19,20).
What are the key properties of 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide?
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 24538483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).