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

C24H25N3O2 — CID 109091209

IUPAC4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-16-8-7-9-18(14-16)26-23(29)21-15-17(12-13-25-21)22(28)27-20-11-6-5-10-19(20)24(2,3)4/h5-15H,1-4H3,(H,26,29)(H,27,28)
InChIKeySHUPXTPJSSKQQV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.19
Rot. Bonds4

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

4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109091209) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109091209
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1
InChIInChI=1S/C24H25N3O2/c1-16-8-7-9-18(14-16)26-23(29)21-15-17(12-13-25-21)22(28)27-20-11-6-5-10-19(20)24(2,3)4/h5-15H,1-4H3,(H,26,29)(H,27,28)
InChIKeySHUPXTPJSSKQQV-UHFFFAOYSA-N
XLogP5.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (CID 109091209) is 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is Cc1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is SHUPXTPJSSKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-8-7-9-18(14-16)26-23(29)21-15-17(12-13-25-21)22(28)27-20-11-6-5-10-19(20)24(2,3)4/h5-15H,1-4H3,(H,26,29)(H,27,28).
What are the key properties of 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).