N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

C23H25N3O3 — CID 109239213

IUPACN-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-5-19(12-17(16)2)26-23(27)18-13-20(15-24-14-18)25-10-11-29-22-8-6-21(28-3)7-9-22/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyJUDUKALNWCUNMK-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.45
Rot. Bonds8

About N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (PubChem CID 109239213) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
PubChem CID109239213
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-4-5-19(12-17(16)2)26-23(27)18-13-20(15-24-14-18)25-10-11-29-22-8-6-21(28-3)7-9-22/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyJUDUKALNWCUNMK-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216
N-(2-ethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239217
5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109239160
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide (CID 109239213) is N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is COc1ccc(OCCNc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
The InChIKey is JUDUKALNWCUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-4-5-19(12-17(16)2)26-23(27)18-13-20(15-24-14-18)25-10-11-29-22-8-6-21(28-3)7-9-22/h4-9,12-15,25H,10-11H2,1-3H3,(H,26,27).
What are the key properties of N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109239213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).