5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide

C22H20ClFN2O2 — CID 3453004

IUPAC5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C)c1ccccc1
InChIInChI=1S/C22H20ClFN2O2/c1-4-26(17-8-6-5-7-9-17)22(27)19-14(2)20(23)15(3)25-21(19)28-18-12-10-16(24)11-13-18/h5-13H,4H2,1-3H3
InChIKeyOESSJXHDKWOOLE-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.95
Rot. Bonds5

About 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide

5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide (PubChem CID 3453004) has the molecular formula C22H20ClFN2O2 and a molecular weight of 398.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
PubChem CID3453004
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC Name5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C)c1ccccc1
InChIInChI=1S/C22H20ClFN2O2/c1-4-26(17-8-6-5-7-9-17)22(27)19-14(2)20(23)15(3)25-21(19)28-18-12-10-16(24)11-13-18/h5-13H,4H2,1-3H3
InChIKeyOESSJXHDKWOOLE-UHFFFAOYSA-N
XLogP5.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide (CID 3453004) is 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
The InChIKey is OESSJXHDKWOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2/c1-4-26(17-8-6-5-7-9-17)22(27)19-14(2)20(23)15(3)25-21(19)28-18-12-10-16(24)11-13-18/h5-13H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide?
5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(4-fluorophenoxy)-4,6-dimethyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 3453004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).