N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C17H16BrF3N4O — CID 133270058

IUPACN-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H16BrF3N4O/c18-12-3-4-14(23-10-12)24-16(26)11-5-8-25(9-6-11)15-13(17(19,20)21)2-1-7-22-15/h1-4,7,10-11H,5-6,8-9H2,(H,23,24,26)
InChIKeyGWVYYIOUNJDNOE-UHFFFAOYSA-N
MW429.24 g/mol
LogP4.11
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 133270058) has the molecular formula C17H16BrF3N4O and a molecular weight of 429.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID133270058
Molecular FormulaC17H16BrF3N4O
Molecular Weight429.24 g/mol
Exact Mass428.05
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C17H16BrF3N4O/c18-12-3-4-14(23-10-12)24-16(26)11-5-8-25(9-6-11)15-13(17(19,20)21)2-1-7-22-15/h1-4,7,10-11H,5-6,8-9H2,(H,23,24,26)
InChIKeyGWVYYIOUNJDNOE-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 133270058) is N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GWVYYIOUNJDNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N4O/c18-12-3-4-14(23-10-12)24-16(26)11-5-8-25(9-6-11)15-13(17(19,20)21)2-1-7-22-15/h1-4,7,10-11H,5-6,8-9H2,(H,23,24,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 429.24 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 133270058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).