1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone

C19H23N5O3 — CID 133409481

IUPAC1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-15(25)23-13-11-22(12-14-23)10-9-20-18-8-7-17(24(26)27)19(21-18)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,20,21)
InChIKeyFUUYMNMOFUIOLD-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.23
Rot. Bonds6

About 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 133409481) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
PubChem CID133409481
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-15(25)23-13-11-22(12-14-23)10-9-20-18-8-7-17(24(26)27)19(21-18)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,20,21)
InChIKeyFUUYMNMOFUIOLD-UHFFFAOYSA-N
XLogP2.23
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
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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Related Compounds

N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
1-[4-[2-[(8-nitroisoquinolin-5-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502760
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
2-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 133408202
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
6-N-ethyl-3-nitro-2-N-(2-piperidin-1-ylethyl)pyridine-2,6-diamine
CID 80786129
4-[2-(4-acetylpiperazin-1-yl)ethylamino]-3-nitrobenzamide
CID 60502670
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133409271
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone (CID 133409481) is 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is FUUYMNMOFUIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-15(25)23-13-11-22(12-14-23)10-9-20-18-8-7-17(24(26)27)19(21-18)16-5-3-2-4-6-16/h2-8H,9-14H2,1H3,(H,20,21).
What are the key properties of 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 369.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 133409481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).