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

C21H17FN4O — CID 109172648

IUPAC2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17FN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27)
InChIKeyFZACRUSUXPGUCG-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.81
Rot. Bonds6

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

2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172648) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172648
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17FN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27)
InChIKeyFZACRUSUXPGUCG-UHFFFAOYSA-N
XLogP3.81
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109173836
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109178899
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109171416
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
2-(2-cyanoanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178127
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487
2-[(4-fluorophenyl)methylamino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109170654

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 109172648) is 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is N#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is FZACRUSUXPGUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27).
What are the key properties of 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide?
2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).