N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide

C20H27N3O2 — CID 109167233

IUPACN-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccnc(NCCCOC)c1
InChIInChI=1S/C20H27N3O2/c1-4-15-8-6-9-16(5-2)19(15)23-20(24)17-10-12-22-18(14-17)21-11-7-13-25-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLYSXAARTOLMEBV-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.91
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide

N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (PubChem CID 109167233) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
PubChem CID109167233
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccnc(NCCCOC)c1
InChIInChI=1S/C20H27N3O2/c1-4-15-8-6-9-16(5-2)19(15)23-20(24)17-10-12-22-18(14-17)21-11-7-13-25-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyLYSXAARTOLMEBV-UHFFFAOYSA-N
XLogP3.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
2-(ethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 62184923
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
2-(2-ethyl-6-methylanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166794

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (CID 109167233) is N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1ccnc(NCCCOC)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The InChIKey is LYSXAARTOLMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-15-8-6-9-16(5-2)19(15)23-20(24)17-10-12-22-18(14-17)21-11-7-13-25-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).