N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide

C21H20FN3O2 — CID 109192362

IUPACN-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-9-6-17(7-10-19)25-18-8-11-20(24-14-18)21(26)23-13-12-15-2-4-16(22)5-3-15/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyABXCMVOEOADOGN-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109192362) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109192362
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-19-9-6-17(7-10-19)25-18-8-11-20(24-14-18)21(26)23-13-12-15-2-4-16(22)5-3-15/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyABXCMVOEOADOGN-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180272
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide (CID 109192362) is N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NCCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is ABXCMVOEOADOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-9-6-17(7-10-19)25-18-8-11-20(24-14-18)21(26)23-13-12-15-2-4-16(22)5-3-15/h2-11,14,25H,12-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109192362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).