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

C23H24N4O2 — CID 109087550

IUPAC2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)18-6-4-5-7-19(18)27-22(29)20-14-17(10-13-25-20)21(28)26-15-16-8-11-24-12-9-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJJVOLTKNTFRLLG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.96
Rot. Bonds5

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

2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087550) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087550
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(C(=O)NCc2ccncc2)ccn1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)18-6-4-5-7-19(18)27-22(29)20-14-17(10-13-25-20)21(28)26-15-16-8-11-24-12-9-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJJVOLTKNTFRLLG-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

4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087638
4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091209
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-(2-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259160
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087668
4-N-(2-tert-butylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082404
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087550) is 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(C(=O)NCc2ccncc2)ccn1.
What is the InChIKey of 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is JJVOLTKNTFRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-23(2,3)18-6-4-5-7-19(18)27-22(29)20-14-17(10-13-25-20)21(28)26-15-16-8-11-24-12-9-16/h4-14H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-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-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).