[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

C18H20ClN3O4 — CID 51125045

IUPAC[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)n1
InChIInChI=1S/C18H20ClN3O4/c1-3-25-15-5-4-14(19)16(20-15)18(24)22-9-7-21(8-10-22)17(23)13-6-11-26-12(13)2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyLUVYJYDCLJOSIN-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.63
Rot. Bonds4

About [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 51125045) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID51125045
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)n1
InChIInChI=1S/C18H20ClN3O4/c1-3-25-15-5-4-14(19)16(20-15)18(24)22-9-7-21(8-10-22)17(23)13-6-11-26-12(13)2/h4-6,11H,3,7-10H2,1-2H3
InChIKeyLUVYJYDCLJOSIN-UHFFFAOYSA-N
XLogP2.63
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone (CID 51125045) is [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is CCOc1ccc(Cl)c(C(=O)N2CCN(C(=O)c3ccoc3C)CC2)n1.
What is the InChIKey of [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is LUVYJYDCLJOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-3-25-15-5-4-14(19)16(20-15)18(24)22-9-7-21(8-10-22)17(23)13-6-11-26-12(13)2/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 377.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 51125045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).