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

C22H22FN3O — CID 109213974

IUPAC4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCc1ccc(Nc2ccnc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-2-16-7-9-18(10-8-16)26-19-12-14-24-21(15-19)22(27)25-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPVOWBNZGOVHVSQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.50
Rot. Bonds7

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

4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109213974) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109213974
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESCCc1ccc(Nc2ccnc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-2-16-7-9-18(10-8-16)26-19-12-14-24-21(15-19)22(27)25-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPVOWBNZGOVHVSQ-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
4-(4-ethylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214135
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308320
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
methyl 4-[[2-[2-(4-fluorophenyl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109214162
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109213974) is 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is CCc1ccc(Nc2ccnc(C(=O)NCCc3ccccc3F)c2)cc1.
What is the InChIKey of 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is PVOWBNZGOVHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-2-16-7-9-18(10-8-16)26-19-12-14-24-21(15-19)22(27)25-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide?
4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109213974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).