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

C17H18N4O4 — CID 133444215

IUPAC4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1
InChIInChI=1S/C17H18N4O4/c18-17(22)16-11-15(5-8-19-16)25-14-6-9-20(10-7-14)12-1-3-13(4-2-12)21(23)24/h1-5,8,11,14H,6-7,9-10H2,(H2,18,22)
InChIKeyVGJOWIBYOJEUES-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.14
Rot. Bonds5

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

4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444215) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444215
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1
InChIInChI=1S/C17H18N4O4/c18-17(22)16-11-15(5-8-19-16)25-14-6-9-20(10-7-14)12-1-3-13(4-2-12)21(23)24/h1-5,8,11,14H,6-7,9-10H2,(H2,18,22)
InChIKeyVGJOWIBYOJEUES-UHFFFAOYSA-N
XLogP2.14
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444274
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
4-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444254
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444206
4-[1-(5-methylquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444187
4-pyrrolidin-3-yloxypyridine-2-carboxamide;hydrochloride
CID 121206923
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
4-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133438789
4-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444137
4-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-2-carboxamide
CID 82691291

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444215) is 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1.
What is the InChIKey of 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is VGJOWIBYOJEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-17(22)16-11-15(5-8-19-16)25-14-6-9-20(10-7-14)12-1-3-13(4-2-12)21(23)24/h1-5,8,11,14H,6-7,9-10H2,(H2,18,22).
What are the key properties of 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).