N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide

C17H16N4O5 — CID 16610937

IUPACN-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C17H16N4O5/c22-15(10-20-9-12(21(25)26)7-8-16(20)23)19-14-4-2-1-3-13(14)17(24)18-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,18,24)(H,19,22)
InChIKeyQHUWKYZVBIXYCN-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.29
Rot. Bonds6

About N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide (PubChem CID 16610937) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
PubChem CID16610937
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C17H16N4O5/c22-15(10-20-9-12(21(25)26)7-8-16(20)23)19-14-4-2-1-3-13(14)17(24)18-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,18,24)(H,19,22)
InChIKeyQHUWKYZVBIXYCN-UHFFFAOYSA-N
XLogP1.29
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
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

1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55531472
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
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 17411352
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
N-cyclohexyl-2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2928177
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
CID 55732995
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 9454767

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide (CID 16610937) is N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
The InChIKey is QHUWKYZVBIXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c22-15(10-20-9-12(21(25)26)7-8-16(20)23)19-14-4-2-1-3-13(14)17(24)18-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,18,24)(H,19,22).
What are the key properties of N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide has a molecular weight of 356.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide is sourced from PubChem (CID 16610937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).