6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

C17H20N4O2 — CID 109098333

IUPAC6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)21-16(23)14-6-4-5-13(20-14)15(22)19-11-12-7-9-18-10-8-12/h4-10H,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyXZHHAKWKCJYZCM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.93
Rot. Bonds4

About 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide

6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109098333) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109098333
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccncc2)n1
InChIInChI=1S/C17H20N4O2/c1-17(2,3)21-16(23)14-6-4-5-13(20-14)15(22)19-11-12-7-9-18-10-8-12/h4-10H,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyXZHHAKWKCJYZCM-UHFFFAOYSA-N
XLogP1.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide (CID 109098333) is 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NCc2ccncc2)n1.
What is the InChIKey of 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is XZHHAKWKCJYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,3)21-16(23)14-6-4-5-13(20-14)15(22)19-11-12-7-9-18-10-8-12/h4-10H,11H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).