N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide

C21H19FN2O2 — CID 172899132

IUPACN-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide
SMILESCCOc1cc(F)ccc1-c1ccc(C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C21H19FN2O2/c1-2-26-20-12-17(22)9-10-18(20)16-8-11-19(23-14-16)21(25)24-13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeyIGEXQABFKKRQJW-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.22
Rot. Bonds6

About N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide

N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 172899132) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide
PubChem CID172899132
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide
SMILESCCOc1cc(F)ccc1-c1ccc(C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C21H19FN2O2/c1-2-26-20-12-17(22)9-10-18(20)16-8-11-19(23-14-16)21(25)24-13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeyIGEXQABFKKRQJW-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(4-fluorophenyl)pyridine-2-carboxamide;fluorobenzene
CID 174988717
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-[(4-ethoxy-3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 110793966
N-[(4-fluorophenyl)methyl]-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109189659
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide (CID 172899132) is N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide is CCOc1cc(F)ccc1-c1ccc(C(=O)NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is IGEXQABFKKRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-2-26-20-12-17(22)9-10-18(20)16-8-11-19(23-14-16)21(25)24-13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,24,25).
What are the key properties of N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide?
N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-ethoxy-4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 172899132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).