N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide

C12H15N3O3 — CID 2931199

IUPACN-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C12H15N3O3/c16-12(9-4-2-1-3-5-9)14-11-7-6-10(8-13-11)15(17)18/h6-9H,1-5H2,(H,13,14,16)
InChIKeyFRLQBKOLKNVBJT-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.51
Rot. Bonds3

About N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide

N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide (PubChem CID 2931199) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
PubChem CID2931199
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1
InChIInChI=1S/C12H15N3O3/c16-12(9-4-2-1-3-5-9)14-11-7-6-10(8-13-11)15(17)18/h6-9H,1-5H2,(H,13,14,16)
InChIKeyFRLQBKOLKNVBJT-UHFFFAOYSA-N
XLogP2.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
CID 4163230
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
N-[(4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 3335172

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide (CID 2931199) is N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)C1CCCCC1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide?
The InChIKey is FRLQBKOLKNVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(9-4-2-1-3-5-9)14-11-7-6-10(8-13-11)15(17)18/h6-9H,1-5H2,(H,13,14,16).
What are the key properties of N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide?
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide has a molecular weight of 249.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide is sourced from PubChem (CID 2931199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).