N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide

C16H12N4O4 — CID 10543950

IUPACN-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)c1cnc2c([N+](=O)[O-])cccn12)c1ccccc1
InChIInChI=1S/C16H12N4O4/c21-14(10-18-16(22)11-5-2-1-3-6-11)13-9-17-15-12(20(23)24)7-4-8-19(13)15/h1-9H,10H2,(H,18,22)
InChIKeyWOFZYIKUHPIORW-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide

N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide (PubChem CID 10543950) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide
PubChem CID10543950
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC NameN-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)c1cnc2c([N+](=O)[O-])cccn12)c1ccccc1
InChIInChI=1S/C16H12N4O4/c21-14(10-18-16(22)11-5-2-1-3-6-11)13-9-17-15-12(20(23)24)7-4-8-19(13)15/h1-9H,10H2,(H,18,22)
InChIKeyWOFZYIKUHPIORW-UHFFFAOYSA-N
XLogP1.86
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.86
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

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2-[[4-[(3-nitro-2-pyridinyl)amino]benzoyl]amino]acetic acid
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3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide
CID 141267218
N-[3-(2-nitroimidazol-1-yl)propyl]benzamide
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N-benzoyl-3-nitropyridine-4-carboxamide
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2-(2-nitrophenyl)-1-phenylethanone
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CID 64590610

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide (CID 10543950) is N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)c1cnc2c([N+](=O)[O-])cccn12)c1ccccc1.
What is the InChIKey of N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide?
The InChIKey is WOFZYIKUHPIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-14(10-18-16(22)11-5-2-1-3-6-11)13-9-17-15-12(20(23)24)7-4-8-19(13)15/h1-9H,10H2,(H,18,22).
What are the key properties of N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide?
N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide has a molecular weight of 324.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-nitroimidazo[1,2-a]pyridin-3-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 10543950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).