2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide

C23H23FN2O3 — CID 54521888

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H23FN2O3/c1-5-26(2)23(27)18-11-12-19(15-6-9-17(24)10-7-15)25-22(18)16-8-13-20(28-3)21(14-16)29-4/h6-14H,5H2,1-4H3
InChIKeyYQJSKECMDIBIHR-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.66
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide

2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide (PubChem CID 54521888) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
PubChem CID54521888
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
SMILESCCN(C)C(=O)c1ccc(-c2ccc(F)cc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H23FN2O3/c1-5-26(2)23(27)18-11-12-19(15-6-9-17(24)10-7-15)25-22(18)16-8-13-20(28-3)21(14-16)29-4/h6-14H,5H2,1-4H3
InChIKeyYQJSKECMDIBIHR-UHFFFAOYSA-N
XLogP4.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide (CID 54521888) is 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide is CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)nc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is YQJSKECMDIBIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-5-26(2)23(27)18-11-12-19(15-6-9-17(24)10-7-15)25-22(18)16-8-13-20(28-3)21(14-16)29-4/h6-14H,5H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-6-(4-fluorophenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 54521888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).