4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide

C18H18N4O2 — CID 109089232

IUPAC4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-18(2,3)22-16(23)13-8-9-20-15(10-13)17(24)21-14-6-4-12(11-19)5-7-14/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyLXPWDQILARQAQE-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.73
Rot. Bonds3

About 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089232) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109089232
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18N4O2/c1-18(2,3)22-16(23)13-8-9-20-15(10-13)17(24)21-14-6-4-12(11-19)5-7-14/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyLXPWDQILARQAQE-UHFFFAOYSA-N
XLogP2.73
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016
N-(4-cyanophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201674
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
2-N-(4-tert-butylphenyl)-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092586
2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087397

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109089232) is 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide is CC(C)(C)NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is LXPWDQILARQAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-18(2,3)22-16(23)13-8-9-20-15(10-13)17(24)21-14-6-4-12(11-19)5-7-14/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).