N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C18H18F3N3O — CID 2797577

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKeyDWFGGOFPIISJIT-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.34
Rot. Bonds3

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 2797577) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID2797577
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKeyDWFGGOFPIISJIT-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 2797577) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is DWFGGOFPIISJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 2797577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).