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

C18H20N4O4 — CID 109097000

IUPAC6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C18H20N4O4/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/h2-6,11H,7-10,12H2,1H3,(H,19,24)
InChIKeyYECJGMIXEUIILN-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.91
Rot. Bonds4

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

6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109097000) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109097000
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C18H20N4O4/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/h2-6,11H,7-10,12H2,1H3,(H,19,24)
InChIKeyYECJGMIXEUIILN-UHFFFAOYSA-N
XLogP0.91
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112
5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279162
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178
4-acetyl-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 3868005
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109097082
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109097000) is 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-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-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YECJGMIXEUIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/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/h2-6,11H,7-10,12H2,1H3,(H,19,24).
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 0.91, 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-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109097000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).