4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide

C15H14N4O3 — CID 17405597

IUPAC4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O3/c20-15(18-14-3-1-2-8-16-14)10-4-7-12(17-11-5-6-11)13(9-10)19(21)22/h1-4,7-9,11,17H,5-6H2,(H,16,18,20)
InChIKeyJSRPWFYGKOYDOI-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.82
Rot. Bonds5

About 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide

4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide (PubChem CID 17405597) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
PubChem CID17405597
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O3/c20-15(18-14-3-1-2-8-16-14)10-4-7-12(17-11-5-6-11)13(9-10)19(21)22/h1-4,7-9,11,17H,5-6H2,(H,16,18,20)
InChIKeyJSRPWFYGKOYDOI-UHFFFAOYSA-N
XLogP2.82
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
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4-(cyclopropylamino)-N-(2-fluoro-5-nitrophenyl)-3-nitrobenzamide
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4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
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4-(cyclopropylamino)-3-nitro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
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2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-phenylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide (CID 17405597) is 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide?
The InChIKey is JSRPWFYGKOYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-15(18-14-3-1-2-8-16-14)10-4-7-12(17-11-5-6-11)13(9-10)19(21)22/h1-4,7-9,11,17H,5-6H2,(H,16,18,20).
What are the key properties of 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide?
4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide has a molecular weight of 298.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-3-nitro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 17405597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).