5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide

C20H25N3O3 — CID 109103485

IUPAC5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)16-7-5-6-8-17(16)23-19(25)15-11-14(12-21-13-15)18(24)22-9-10-26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRDNLMFWUTBBIQI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.01
Rot. Bonds6

About 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide

5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103485) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
PubChem CID109103485
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)16-7-5-6-8-17(16)23-19(25)15-11-14(12-21-13-15)18(24)22-9-10-26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRDNLMFWUTBBIQI-UHFFFAOYSA-N
XLogP3.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.01
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

3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
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-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-N-(2,3-dimethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103641
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-(2-tert-butylphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063589
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide (CID 109103485) is 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide is COCCNC(=O)c1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The InChIKey is RDNLMFWUTBBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)16-7-5-6-8-17(16)23-19(25)15-11-14(12-21-13-15)18(24)22-9-10-26-4/h5-8,11-13H,9-10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).