6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide

C18H18F3N3O3 — CID 71886114

IUPAC6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)27-15-4-2-14(3-5-15)24-9-7-13(8-10-24)23-17(26)12-1-6-16(25)22-11-12/h1-6,11,13H,7-10H2,(H,22,25)(H,23,26)
InChIKeyTULDBKGPXOZKMG-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.67
Rot. Bonds4

About 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide (PubChem CID 71886114) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
PubChem CID71886114
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)27-15-4-2-14(3-5-15)24-9-7-13(8-10-24)23-17(26)12-1-6-16(25)22-11-12/h1-6,11,13H,7-10H2,(H,22,25)(H,23,26)
InChIKeyTULDBKGPXOZKMG-UHFFFAOYSA-N
XLogP2.67
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide (CID 71886114) is 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide is O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
The InChIKey is TULDBKGPXOZKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)27-15-4-2-14(3-5-15)24-9-7-13(8-10-24)23-17(26)12-1-6-16(25)22-11-12/h1-6,11,13H,7-10H2,(H,22,25)(H,23,26).
What are the key properties of 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71886114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).