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

C23H24N4O2 — CID 109087356

IUPAC2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)18-6-8-19(9-7-18)27-22(29)20-13-17(10-12-25-20)21(28)26-15-16-5-4-11-24-14-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyYGEMZUXPURGXDO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.96
Rot. Bonds5

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

2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087356) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087356
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)18-6-8-19(9-7-18)27-22(29)20-13-17(10-12-25-20)21(28)26-15-16-5-4-11-24-14-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyYGEMZUXPURGXDO-UHFFFAOYSA-N
XLogP3.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087397
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087356) is 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is CC(C)(C)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is YGEMZUXPURGXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-23(2,3)18-6-8-19(9-7-18)27-22(29)20-13-17(10-12-25-20)21(28)26-15-16-5-4-11-24-14-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).