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

C22H22FN3O — CID 109172680

IUPACN-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O/c1-2-17-5-3-4-6-20(17)26-22(27)18-12-14-25-21(15-18)24-13-11-16-7-9-19(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyVPWVYGMJLTYGAM-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.69
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172680) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172680
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1
InChIInChI=1S/C22H22FN3O/c1-2-17-5-3-4-6-20(17)26-22(27)18-12-14-25-21(15-18)24-13-11-16-7-9-19(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27)
InChIKeyVPWVYGMJLTYGAM-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-(2-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172694
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172552
N-(2-ethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 55050638
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172686
N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide (CID 109172680) is N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is VPWVYGMJLTYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-2-17-5-3-4-6-20(17)26-22(27)18-12-14-25-21(15-18)24-13-11-16-7-9-19(23)10-8-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide?
N-(2-ethylphenyl)-2-[2-(4-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-(2-ethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).