4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide

C17H16F2N4O4 — CID 133444274

IUPAC4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)ccn1
InChIInChI=1S/C17H16F2N4O4/c18-13-7-10(23(25)26)8-14(19)16(13)22-5-2-11(3-6-22)27-12-1-4-21-15(9-12)17(20)24/h1,4,7-9,11H,2-3,5-6H2,(H2,20,24)
InChIKeyKXWNAMWBVORXPQ-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.41
Rot. Bonds5

About 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide

4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444274) has the molecular formula C17H16F2N4O4 and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444274
Molecular FormulaC17H16F2N4O4
Molecular Weight378.34 g/mol
Exact Mass378.11
IUPAC Name4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESNC(=O)c1cc(OC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)ccn1
InChIInChI=1S/C17H16F2N4O4/c18-13-7-10(23(25)26)8-14(19)16(13)22-5-2-11(3-6-22)27-12-1-4-21-15(9-12)17(20)24/h1,4,7-9,11H,2-3,5-6H2,(H2,20,24)
InChIKeyKXWNAMWBVORXPQ-UHFFFAOYSA-N
XLogP2.41
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.41
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-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444215
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
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-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256727
4-[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 154580782
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-methylquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444187
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-pyrrolidin-3-yloxypyridine-2-carboxamide;hydrochloride
CID 121206923

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444274) is 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide is NC(=O)c1cc(OC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)ccn1.
What is the InChIKey of 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is KXWNAMWBVORXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O4/c18-13-7-10(23(25)26)8-14(19)16(13)22-5-2-11(3-6-22)27-12-1-4-21-15(9-12)17(20)24/h1,4,7-9,11H,2-3,5-6H2,(H2,20,24).
What are the key properties of 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).