2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

C22H22FN3O2 — CID 109172626

IUPAC2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-21-15-17(12-14-24-21)22(27)25-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySWIGIVCYMJEICU-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.34
Rot. Bonds8

About 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide

2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172626) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172626
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-21-15-17(12-14-24-21)22(27)25-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySWIGIVCYMJEICU-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172694
2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172648
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 109172626) is 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is SWIGIVCYMJEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-28-20-6-4-3-5-19(20)26-21-15-17(12-14-24-21)22(27)25-13-11-16-7-9-18(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).