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

C17H20N4O2 — CID 109094229

IUPAC2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C17H20N4O2/c1-2-3-10-19-16(22)14-8-6-9-15(21-14)17(23)20-12-13-7-4-5-11-18-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyIGTHHCTVRQWRDF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.94
Rot. Bonds7

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

2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109094229) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109094229
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C17H20N4O2/c1-2-3-10-19-16(22)14-8-6-9-15(21-14)17(23)20-12-13-7-4-5-11-18-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyIGTHHCTVRQWRDF-UHFFFAOYSA-N
XLogP1.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109094229) is 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is IGTHHCTVRQWRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-10-19-16(22)14-8-6-9-15(21-14)17(23)20-12-13-7-4-5-11-18-13/h4-9,11H,2-3,10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).