4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide

C19H20N6O5 — CID 47033951

IUPAC4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C19H20N6O5/c26-18(21-14-2-1-3-15(12-14)24-10-11-30-19(24)27)23-8-6-22(7-9-23)16-4-5-17(20-13-16)25(28)29/h1-5,12-13H,6-11H2,(H,21,26)
InChIKeyBWXTTWHTAXUCHI-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.30
Rot. Bonds4

About 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide

4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide (PubChem CID 47033951) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide
PubChem CID47033951
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Name4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C19H20N6O5/c26-18(21-14-2-1-3-15(12-14)24-10-11-30-19(24)27)23-8-6-22(7-9-23)16-4-5-17(20-13-16)25(28)29/h1-5,12-13H,6-11H2,(H,21,26)
InChIKeyBWXTTWHTAXUCHI-UHFFFAOYSA-N
XLogP2.30
TPSA121.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide (CID 47033951) is 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1.
What is the InChIKey of 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is BWXTTWHTAXUCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c26-18(21-14-2-1-3-15(12-14)24-10-11-30-19(24)27)23-8-6-22(7-9-23)16-4-5-17(20-13-16)25(28)29/h1-5,12-13H,6-11H2,(H,21,26).
What are the key properties of 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide?
4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-3-pyridinyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47033951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).