N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide

C22H22FN3O — CID 109172552

IUPACN-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-2-16-7-9-19(10-8-16)26-22(27)18-12-14-25-21(15-18)24-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyVIZAHJZBZWACPH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.69
Rot. Bonds7

About N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide

N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172552) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172552
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C22H22FN3O/c1-2-16-7-9-19(10-8-16)26-22(27)18-12-14-25-21(15-18)24-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyVIZAHJZBZWACPH-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172680
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109173853
2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide (CID 109172552) is N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(NCCc3ccccc3F)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is VIZAHJZBZWACPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-2-16-7-9-19(10-8-16)26-22(27)18-12-14-25-21(15-18)24-13-11-17-5-3-4-6-20(17)23/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide?
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).