2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C17H25N3O3 — CID 109096180

IUPAC2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H25N3O3/c1-12(2)8-9-18-16(21)14-6-3-7-15(20-14)17(22)19-11-13-5-4-10-23-13/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLMBPYBCCNAOQEU-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.77
Rot. Bonds7

About 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096180) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096180
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H25N3O3/c1-12(2)8-9-18-16(21)14-6-3-7-15(20-14)17(22)19-11-13-5-4-10-23-13/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLMBPYBCCNAOQEU-UHFFFAOYSA-N
XLogP1.77
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.77
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
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
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
3-N-(3-methylbutyl)-1-N-(oxolan-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069475
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-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096180) is 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is CC(C)CCNC(=O)c1cccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is LMBPYBCCNAOQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)8-9-18-16(21)14-6-3-7-15(20-14)17(22)19-11-13-5-4-10-23-13/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).