6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C18H24N4O4 — CID 109096136

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NCC3CCCO3)n2)CC1
InChIInChI=1S/C18H24N4O4/c1-13(23)21-7-9-22(10-8-21)18(25)16-6-2-5-15(20-16)17(24)19-12-14-4-3-11-26-14/h2,5-6,14H,3-4,7-12H2,1H3,(H,19,24)
InChIKeyTZNJSFDWZFCLKM-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.29
Rot. Bonds4

About 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109096136) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109096136
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NCC3CCCO3)n2)CC1
InChIInChI=1S/C18H24N4O4/c1-13(23)21-7-9-22(10-8-21)18(25)16-6-2-5-15(20-16)17(24)19-12-14-4-3-11-26-14/h2,5-6,14H,3-4,7-12H2,1H3,(H,19,24)
InChIKeyTZNJSFDWZFCLKM-UHFFFAOYSA-N
XLogP0.29
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096133
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
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
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
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109096136) is 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cccc(C(=O)NCC3CCCO3)n2)CC1.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is TZNJSFDWZFCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-13(23)21-7-9-22(10-8-21)18(25)16-6-2-5-15(20-16)17(24)19-12-14-4-3-11-26-14/h2,5-6,14H,3-4,7-12H2,1H3,(H,19,24).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).