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

C23H25N3O3 — CID 109193638

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3cccc(C)c3)nc2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)26-23(27)20-9-8-19(15-25-20)24-12-11-17-7-10-21(28-2)22(14-17)29-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,26,27)
InChIKeyQSLJJBWTQXWVFT-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds8

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

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109193638) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109193638
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3cccc(C)c3)nc2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)26-23(27)20-9-8-19(15-25-20)24-12-11-17-7-10-21(28-2)22(14-17)29-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,26,27)
InChIKeyQSLJJBWTQXWVFT-UHFFFAOYSA-N
XLogP4.31
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192588
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-fluoro-N-(3-methylphenyl)benzamide
CID 3435303
N-(2-methoxy-5-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192584
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
3-(3,4-dimethoxyphenyl)-N-[5-(3-methylanilino)-2-pyridinyl]propanamide
CID 113031455

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109193638) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is COc1ccc(CCNc2ccc(C(=O)Nc3cccc(C)c3)nc2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is QSLJJBWTQXWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-5-4-6-18(13-16)26-23(27)20-9-8-19(15-25-20)24-12-11-17-7-10-21(28-2)22(14-17)29-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,26,27).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109193638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).