N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide

C22H22FN3O3 — CID 113028190

IUPACN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-9-7-16(13-20(19)29-2)22(27)26-21-10-8-17(14-25-21)24-12-11-15-5-3-4-6-18(15)23/h3-10,13-14,24H,11-12H2,1-2H3,(H,25,26,27)
InChIKeyVLXILBQSQSMIOV-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.14
Rot. Bonds8

About N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide (PubChem CID 113028190) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
PubChem CID113028190
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-9-7-16(13-20(19)29-2)22(27)26-21-10-8-17(14-25-21)24-12-11-15-5-3-4-6-18(15)23/h3-10,13-14,24H,11-12H2,1-2H3,(H,25,26,27)
InChIKeyVLXILBQSQSMIOV-UHFFFAOYSA-N
XLogP4.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
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
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide (CID 113028190) is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NCCc3ccccc3F)cn2)cc1OC.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
The InChIKey is VLXILBQSQSMIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-9-7-16(13-20(19)29-2)22(27)26-21-10-8-17(14-25-21)24-12-11-15-5-3-4-6-18(15)23/h3-10,13-14,24H,11-12H2,1-2H3,(H,25,26,27).
What are the key properties of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide?
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide has a molecular weight of 395.43 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).