N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide

C20H22N6O3 — CID 30041112

IUPACN-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)NCc1ccccc1
InChIInChI=1S/C20H22N6O3/c27-18(21-14-16-6-2-1-3-7-16)15-23-10-12-24(13-11-23)19-20(26(28)29)25-9-5-4-8-17(25)22-19/h1-9H,10-15H2,(H,21,27)
InChIKeyJLBJOGMJCCZMAY-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.68
Rot. Bonds6

About N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide (PubChem CID 30041112) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide
PubChem CID30041112
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)NCc1ccccc1
InChIInChI=1S/C20H22N6O3/c27-18(21-14-16-6-2-1-3-7-16)15-23-10-12-24(13-11-23)19-20(26(28)29)25-9-5-4-8-17(25)22-19/h1-9H,10-15H2,(H,21,27)
InChIKeyJLBJOGMJCCZMAY-UHFFFAOYSA-N
XLogP1.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.68
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

2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35416947
2-[4-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 43049504
N-(2,6-dimethylphenyl)-2-[4-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 55522816
2-[4-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 42954841
2-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)piperazin-1-yl]-N-phenylacetamide
CID 31257866
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-benzyl-2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]acetamide
CID 134006985
3-nitro-2-[4-(2-phenylethyl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 55523228
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
CID 165434280
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide (CID 30041112) is N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is JLBJOGMJCCZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c27-18(21-14-16-6-2-1-3-7-16)15-23-10-12-24(13-11-23)19-20(26(28)29)25-9-5-4-8-17(25)22-19/h1-9H,10-15H2,(H,21,27).
What are the key properties of N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30041112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).