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4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109089233

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)c1cccc(C)c1
InChIInChI=1S/C20H25N3O2/c1-6-23(16-9-7-8-14(2)12-16)19(25)17-13-15(10-11-21-17)18(24)22-20(3,4)5/h7-13H,6H2,1-5H3,(H,22,24)
InChIKeyUGVCXORGIAQIBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.59
Rot. Bonds4

About 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089233) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089233
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)c1cccc(C)c1
InChIInChI=1S/C20H25N3O2/c1-6-23(16-9-7-8-14(2)12-16)19(25)17-13-15(10-11-21-17)18(24)22-20(3,4)5/h7-13H,6H2,1-5H3,(H,22,24)
InChIKeyUGVCXORGIAQIBZ-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (CID 109089233) is 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)NC(C)(C)C)ccn1)c1cccc(C)c1.
What is the InChIKey of 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is UGVCXORGIAQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-6-23(16-9-7-8-14(2)12-16)19(25)17-13-15(10-11-21-17)18(24)22-20(3,4)5/h7-13H,6H2,1-5H3,(H,22,24).
What are the key properties of 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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