N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide

C21H20FN3O2 — CID 113028186

IUPACN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-18-9-6-16(7-10-18)21(26)25-20-11-8-17(14-24-20)23-13-12-15-4-2-3-5-19(15)22/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyXCLVELDEIKLUJD-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.14
Rot. Bonds7

About N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113028186) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
PubChem CID113028186
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-18-9-6-16(7-10-18)21(26)25-20-11-8-17(14-24-20)23-13-12-15-4-2-3-5-19(15)22/h2-11,14,23H,12-13H2,1H3,(H,24,25,26)
InChIKeyXCLVELDEIKLUJD-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
6-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109158531
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032411
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
CID 113028219

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide (CID 113028186) is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is XCLVELDEIKLUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-18-9-6-16(7-10-18)21(26)25-20-11-8-17(14-24-20)23-13-12-15-4-2-3-5-19(15)22/h2-11,14,23H,12-13H2,1H3,(H,24,25,26).
What are the key properties of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide?
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 365.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113028186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).