N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide

C19H20ClN5O5 — CID 55732995

IUPACN-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClN5O5/c20-15-3-1-2-4-16(15)21-17(26)12-22-7-9-23(10-8-22)19(28)13-24-11-14(25(29)30)5-6-18(24)27/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKeyHFKCAVRNJCIYGM-UHFFFAOYSA-N
MW433.85 g/mol
LogP1.19
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55732995) has the molecular formula C19H20ClN5O5 and a molecular weight of 433.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
PubChem CID55732995
Molecular FormulaC19H20ClN5O5
Molecular Weight433.85 g/mol
Exact Mass433.12
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)Nc1ccccc1Cl
InChIInChI=1S/C19H20ClN5O5/c20-15-3-1-2-4-16(15)21-17(26)12-22-7-9-23(10-8-22)19(28)13-24-11-14(25(29)30)5-6-18(24)27/h1-6,11H,7-10,12-13H2,(H,21,26)
InChIKeyHFKCAVRNJCIYGM-UHFFFAOYSA-N
XLogP1.19
TPSA117.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 51.19
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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Related Compounds

N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
5-nitro-1-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55733147
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020776
N-(2-chlorophenyl)-2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 27860722
2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547623
N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 16610937
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide (CID 55732995) is N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is HFKCAVRNJCIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O5/c20-15-3-1-2-4-16(15)21-17(26)12-22-7-9-23(10-8-22)19(28)13-24-11-14(25(29)30)5-6-18(24)27/h1-6,11H,7-10,12-13H2,(H,21,26).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 433.85 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55732995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).