2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C17H23N3O4 — CID 4668561

IUPAC2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H23N3O4/c21-16(18-10-12-4-2-8-23-12)14-6-1-7-15(20-14)17(22)19-11-13-5-3-9-24-13/h1,6-7,12-13H,2-5,8-11H2,(H,18,21)(H,19,22)
InChIKeyBMYLLSSZYYJQAV-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.90
Rot. Bonds6

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

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 4668561) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID4668561
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCC1CCCO1)c1cccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H23N3O4/c21-16(18-10-12-4-2-8-23-12)14-6-1-7-15(20-14)17(22)19-11-13-5-3-9-24-13/h1,6-7,12-13H,2-5,8-11H2,(H,18,21)(H,19,22)
InChIKeyBMYLLSSZYYJQAV-UHFFFAOYSA-N
XLogP0.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
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-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 4668561) is 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is O=C(NCC1CCCO1)c1cccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is BMYLLSSZYYJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-16(18-10-12-4-2-8-23-12)14-6-1-7-15(20-14)17(22)19-11-13-5-3-9-24-13/h1,6-7,12-13H,2-5,8-11H2,(H,18,21)(H,19,22).
What are the key properties of 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4668561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).