3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide

C24H25N3O2 — CID 109105034

IUPAC3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-9-11-21(12-10-20)27-23(29)19-13-18(15-25-16-19)22(28)26-14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBKUPPRDZYDKUPQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds5

About 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide

3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109105034) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109105034
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-24(2,3)20-9-11-21(12-10-20)27-23(29)19-13-18(15-25-16-19)22(28)26-14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBKUPPRDZYDKUPQ-UHFFFAOYSA-N
XLogP4.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide (CID 109105034) is 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is BKUPPRDZYDKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2,3)20-9-11-21(12-10-20)27-23(29)19-13-18(15-25-16-19)22(28)26-14-17-7-5-4-6-8-17/h4-13,15-16H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).