2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide

C16H18N2O2 — CID 90700287

IUPAC2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N(C)OC)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-4-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(19)18(2)20-3/h5-11H,4H2,1-3H3
InChIKeyYRRSDLHSDBIAGK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide

2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide (PubChem CID 90700287) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
PubChem CID90700287
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N(C)OC)ccn2)cc1
InChIInChI=1S/C16H18N2O2/c1-4-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(19)18(2)20-3/h5-11H,4H2,1-3H3
InChIKeyYRRSDLHSDBIAGK-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide (CID 90700287) is 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide is CCc1ccc(-c2cc(C(=O)N(C)OC)ccn2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide?
The InChIKey is YRRSDLHSDBIAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-12-5-7-13(8-6-12)15-11-14(9-10-17-15)16(19)18(2)20-3/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide?
2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-methoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 90700287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).