N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

C22H22FN3O3 — CID 109192451

IUPACN-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-20-10-8-17(13-21(20)29-2)26-22(27)19-9-7-18(14-25-19)24-12-11-15-3-5-16(23)6-4-15/h3-10,13-14,24H,11-12H2,1-2H3,(H,26,27)
InChIKeyMPUIEKWYOVEQGX-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.14
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109192451) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109192451
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-20-10-8-17(13-21(20)29-2)26-22(27)19-9-7-18(14-25-19)24-12-11-15-3-5-16(23)6-4-15/h3-10,13-14,24H,11-12H2,1-2H3,(H,26,27)
InChIKeyMPUIEKWYOVEQGX-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

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109193638
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
N-(3,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284529

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide (CID 109192451) is N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(NCCc3ccc(F)cc3)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is MPUIEKWYOVEQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-20-10-8-17(13-21(20)29-2)26-22(27)19-9-7-18(14-25-19)24-12-11-15-3-5-16(23)6-4-15/h3-10,13-14,24H,11-12H2,1-2H3,(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide 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-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109192451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).