1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

C20H26F3N5O — CID 46977522

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H26F3N5O/c1-13-17(14(2)27(3)26-13)6-9-24-19(29)15-7-10-28(11-8-15)18-5-4-16(12-25-18)20(21,22)23/h4-5,12,15H,6-11H2,1-3H3,(H,24,29)
InChIKeyJWPDURFDAOCULI-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.03
Rot. Bonds5

About 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide

1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46977522) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46977522
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H26F3N5O/c1-13-17(14(2)27(3)26-13)6-9-24-19(29)15-7-10-28(11-8-15)18-5-4-16(12-25-18)20(21,22)23/h4-5,12,15H,6-11H2,1-3H3,(H,24,29)
InChIKeyJWPDURFDAOCULI-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46977522) is 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is JWPDURFDAOCULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c1-13-17(14(2)27(3)26-13)6-9-24-19(29)15-7-10-28(11-8-15)18-5-4-16(12-25-18)20(21,22)23/h4-5,12,15H,6-11H2,1-3H3,(H,24,29).
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide?
1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).