2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C21H27N3O3 — CID 109082568

IUPAC2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C(=O)NCCCOC)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-15-8-6-9-16(5-2)19(15)24-21(26)18-14-17(10-12-22-18)20(25)23-11-7-13-27-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQZQIHELBHBXEDG-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.22
Rot. Bonds9

About 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082568) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082568
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C(=O)NCCCOC)ccn1
InChIInChI=1S/C21H27N3O3/c1-4-15-8-6-9-16(5-2)19(15)24-21(26)18-14-17(10-12-22-18)20(25)23-11-7-13-27-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQZQIHELBHBXEDG-UHFFFAOYSA-N
XLogP3.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.22
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

2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082631
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109080782
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082568) is 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is CCc1cccc(CC)c1NC(=O)c1cc(C(=O)NCCCOC)ccn1.
What is the InChIKey of 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is QZQIHELBHBXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-15-8-6-9-16(5-2)19(15)24-21(26)18-14-17(10-12-22-18)20(25)23-11-7-13-27-3/h6,8-10,12,14H,4-5,7,11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).