N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide

C21H17FN2O2 — CID 58247843

IUPACN-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(Cc1cc(C(=O)NCc2ccccc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-18-8-6-16(7-9-18)20(25)13-19-12-17(10-11-23-19)21(26)24-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyKQUCZPNRSWYGNP-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.58
Rot. Bonds6

About N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide

N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 58247843) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID58247843
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(Cc1cc(C(=O)NCc2ccccc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-18-8-6-16(7-9-18)20(25)13-19-12-17(10-11-23-19)21(26)24-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyKQUCZPNRSWYGNP-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-2-phenacylpyridine-4-carboxamide
CID 58247766
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
CID 67153861
N-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116099
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide (CID 58247843) is N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide is O=C(Cc1cc(C(=O)NCc2ccccc2)ccn1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is KQUCZPNRSWYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-18-8-6-16(7-9-18)20(25)13-19-12-17(10-11-23-19)21(26)24-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 58247843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).