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

C23H25N3O3 — CID 109237774

IUPAC5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2cncc(C(=O)Nc3ccc(C)cc3)c2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-7-19(8-5-16)26-23(27)18-13-20(15-24-14-18)25-11-10-17-6-9-21(28-2)22(12-17)29-3/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyMTSDHVIFUCVFTR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds8

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

5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109237774) 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-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID109237774
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNc2cncc(C(=O)Nc3ccc(C)cc3)c2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-16-4-7-19(8-5-16)26-23(27)18-13-20(15-24-14-18)25-11-10-17-6-9-21(28-2)22(12-17)29-3/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyMTSDHVIFUCVFTR-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-(3,4-dimethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237779
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
N-(2-methoxy-5-methylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236957
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 109237774) is 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide is COc1ccc(CCNc2cncc(C(=O)Nc3ccc(C)cc3)c2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is MTSDHVIFUCVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-7-19(8-5-16)26-23(27)18-13-20(15-24-14-18)25-11-10-17-6-9-21(28-2)22(12-17)29-3/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27).
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide?
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-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-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109237774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).