(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide

C17H18N2O2 — CID 51305933

IUPAC(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cn1
InChIInChI=1S/C17H18N2O2/c1-13-3-5-14(6-4-13)7-9-16(20)18-11-15-8-10-17(21-2)19-12-15/h3-10,12H,11H2,1-2H3,(H,18,20)/b9-7+
InChIKeyPHZWPGOCRFAMLM-VQHVLOKHSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds5

About (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 51305933) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID51305933
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cn1
InChIInChI=1S/C17H18N2O2/c1-13-3-5-14(6-4-13)7-9-16(20)18-11-15-8-10-17(21-2)19-12-15/h3-10,12H,11H2,1-2H3,(H,18,20)/b9-7+
InChIKeyPHZWPGOCRFAMLM-VQHVLOKHSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 51076627
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-3-(3-aminophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 115343636
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744249
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide (CID 51305933) is (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide is COc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cn1.
What is the InChIKey of (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is PHZWPGOCRFAMLM-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-3-5-14(6-4-13)7-9-16(20)18-11-15-8-10-17(21-2)19-12-15/h3-10,12H,11H2,1-2H3,(H,18,20)/b9-7+.
What are the key properties of (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 51305933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).