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

C16H23N3O3 — CID 109096177

IUPAC6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-15(21)13-8-4-7-12(18-13)14(20)17-10-11-6-5-9-22-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyXJKJJVJCTAVISQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.52
Rot. Bonds4

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

6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096177) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096177
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-15(21)13-8-4-7-12(18-13)14(20)17-10-11-6-5-9-22-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyXJKJJVJCTAVISQ-UHFFFAOYSA-N
XLogP1.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
6-(4-methylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096133
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
N-tert-butyl-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365728
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019

Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096177) is 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is XJKJJVJCTAVISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)19-15(21)13-8-4-7-12(18-13)14(20)17-10-11-6-5-9-22-11/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of 6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.52, 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-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).