N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide

C21H20FN3O — CID 109236255

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-15-6-8-18(9-7-15)25-19-12-17(13-23-14-19)21(26)24-11-10-16-4-2-3-5-20(16)22/h2-9,12-14,25H,10-11H2,1H3,(H,24,26)
InChIKeyTWVSBCVJIXYVMX-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.25
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109236255) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109236255
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C21H20FN3O/c1-15-6-8-18(9-7-15)25-19-12-17(13-23-14-19)21(26)24-11-10-16-4-2-3-5-20(16)22/h2-9,12-14,25H,10-11H2,1H3,(H,24,26)
InChIKeyTWVSBCVJIXYVMX-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(3,5-dimethylphenyl)-3-N-[2-(2-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106326
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
5-(4-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233337
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
3-N-[2-(2-fluorophenyl)ethyl]-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106321
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
N-[(2-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109233796
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide (CID 109236255) is N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)NCCc3ccccc3F)c2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is TWVSBCVJIXYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-6-8-18(9-7-15)25-19-12-17(13-23-14-19)21(26)24-11-10-16-4-2-3-5-20(16)22/h2-9,12-14,25H,10-11H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109236255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).