furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone

C14H14N4O4 — CID 2859767

IUPACfuran-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H14N4O4/c19-14(12-2-1-9-22-12)17-7-5-16(6-8-17)13-4-3-11(10-15-13)18(20)21/h1-4,9-10H,5-8H2
InChIKeyNAAYECCLYVWGOC-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.55
Rot. Bonds3

About furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone

furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 2859767) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID2859767
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Namefuran-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C14H14N4O4/c19-14(12-2-1-9-22-12)17-7-5-16(6-8-17)13-4-3-11(10-15-13)18(20)21/h1-4,9-10H,5-8H2
InChIKeyNAAYECCLYVWGOC-UHFFFAOYSA-N
XLogP1.55
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone (CID 2859767) is furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is NAAYECCLYVWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c19-14(12-2-1-9-22-12)17-7-5-16(6-8-17)13-4-3-11(10-15-13)18(20)21/h1-4,9-10H,5-8H2.
What are the key properties of furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 302.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2859767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).