N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide

C18H21N5O3 — CID 2809415

IUPACN-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O3/c1-20(15-5-3-2-4-6-15)18(24)14-21-9-11-22(12-10-21)17-8-7-16(13-19-17)23(25)26/h2-8,13H,9-12,14H2,1H3
InChIKeyZHTBYAGEUBAIKN-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide

N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 2809415) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID2809415
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O3/c1-20(15-5-3-2-4-6-15)18(24)14-21-9-11-22(12-10-21)17-8-7-16(13-19-17)23(25)26/h2-8,13H,9-12,14H2,1H3
InChIKeyZHTBYAGEUBAIKN-UHFFFAOYSA-N
XLogP1.77
TPSA82.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.77
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 N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide (CID 2809415) is N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide is CN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ZHTBYAGEUBAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-20(15-5-3-2-4-6-15)18(24)14-21-9-11-22(12-10-21)17-8-7-16(13-19-17)23(25)26/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 355.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2809415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).