1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one

C20H20N4O3 — CID 134024324

IUPAC1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
SMILESO=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N4O3/c25-19-6-2-4-10-24(19)15-16-7-8-17(27-16)20(26)23-13-11-22(12-14-23)18-5-1-3-9-21-18/h1-10H,11-15H2
InChIKeyOSKRZCMLXBMCPA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.85
Rot. Bonds4

About 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one

1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one (PubChem CID 134024324) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
PubChem CID134024324
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
SMILESO=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N4O3/c25-19-6-2-4-10-24(19)15-16-7-8-17(27-16)20(26)23-13-11-22(12-14-23)18-5-1-3-9-21-18/h1-10H,11-15H2
InChIKeyOSKRZCMLXBMCPA-UHFFFAOYSA-N
XLogP1.85
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817
N'-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219364
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
5-[(2-oxo-1-pyridinyl)methyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 37313586
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-(2,3-dimethylphenyl)-2-[4-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperazin-1-yl]acetamide
CID 37214062
1-[(5-bromofuran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 764380
1-[[5-[(4aR,8aS)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97082289
1-[[5-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 98793331
2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
CID 46283288
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one (CID 134024324) is 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one is O=C(c1ccc(Cn2ccccc2=O)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one?
The InChIKey is OSKRZCMLXBMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19-6-2-4-10-24(19)15-16-7-8-17(27-16)20(26)23-13-11-22(12-14-23)18-5-1-3-9-21-18/h1-10H,11-15H2.
What are the key properties of 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one?
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 134024324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).