5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

C19H23N3O3 — CID 109103641

IUPAC5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-4-7-17(14(13)2)22-19(24)16-10-15(11-20-12-16)18(23)21-8-5-9-25-3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWFMWWBWSEHQSMT-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.72
Rot. Bonds7

About 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide

5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (PubChem CID 109103641) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
PubChem CID109103641
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H23N3O3/c1-13-6-4-7-17(14(13)2)22-19(24)16-10-15(11-20-12-16)18(23)21-8-5-9-25-3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWFMWWBWSEHQSMT-UHFFFAOYSA-N
XLogP2.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.72
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

5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427
3-N-(2,3-dimethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106753
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-(2,3-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105213
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide (CID 109103641) is 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is COCCCNC(=O)c1cncc(C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
The InChIKey is WFMWWBWSEHQSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-4-7-17(14(13)2)22-19(24)16-10-15(11-20-12-16)18(23)21-8-5-9-25-3/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide?
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).