2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide

C18H22N6O3 — CID 143492165

IUPAC2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cnc(N)c([N+](=O)[O-])c1N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N6O3/c1-13-11-20-18(19)17(24(26)27)16(13)23-9-7-22(8-10-23)12-15(25)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,19,20)(H,21,25)
InChIKeyRQPCLNDDSYDADF-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.64
Rot. Bonds5

About 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 143492165) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID143492165
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cnc(N)c([N+](=O)[O-])c1N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N6O3/c1-13-11-20-18(19)17(24(26)27)16(13)23-9-7-22(8-10-23)12-15(25)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,19,20)(H,21,25)
InChIKeyRQPCLNDDSYDADF-UHFFFAOYSA-N
XLogP1.64
TPSA117.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
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 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide (CID 143492165) is 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide is Cc1cnc(N)c([N+](=O)[O-])c1N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is RQPCLNDDSYDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-13-11-20-18(19)17(24(26)27)16(13)23-9-7-22(8-10-23)12-15(25)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,19,20)(H,21,25).
What are the key properties of 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 370.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-methyl-3-nitro-4-pyridinyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 143492165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).