4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide

C18H18N4O5 — CID 122256727

IUPAC4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)ccn1
InChIInChI=1S/C18H18N4O5/c19-17(23)15-10-12(7-8-20-15)27-13-4-3-9-21(11-13)18(24)14-5-1-2-6-16(14)22(25)26/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23)
InChIKeyRJXKLKPANSVPCZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.77
Rot. Bonds5

About 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide

4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122256727) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122256727
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)ccn1
InChIInChI=1S/C18H18N4O5/c19-17(23)15-10-12(7-8-20-15)27-13-4-3-9-21(11-13)18(24)14-5-1-2-6-16(14)22(25)26/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23)
InChIKeyRJXKLKPANSVPCZ-UHFFFAOYSA-N
XLogP1.77
TPSA128.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.77
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'}

Analyze 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
4-[1-(2-phenoxyacetyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256747
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
4-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256976

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide (CID 122256727) is 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)ccn1.
What is the InChIKey of 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is RJXKLKPANSVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c19-17(23)15-10-12(7-8-20-15)27-13-4-3-9-21(11-13)18(24)14-5-1-2-6-16(14)22(25)26/h1-2,5-8,10,13H,3-4,9,11H2,(H2,19,23).
What are the key properties of 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122256727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).