N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H19F3N4O2 — CID 86883697

IUPACN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)nc1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)17-3-1-2-16(12-17)19-5-6-20(32-19)22(31)29-18-8-10-30(11-9-18)21-7-4-15(13-27)14-28-21/h1-7,12,14,18H,8-11H2,(H,29,31)
InChIKeyJACRYLMTXYWVAD-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.63
Rot. Bonds4

About N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 86883697) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID86883697
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)nc1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)17-3-1-2-16(12-17)19-5-6-20(32-19)22(31)29-18-8-10-30(11-9-18)21-7-4-15(13-27)14-28-21/h1-7,12,14,18H,8-11H2,(H,29,31)
InChIKeyJACRYLMTXYWVAD-UHFFFAOYSA-N
XLogP4.63
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 86883697) is N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is N#Cc1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)CC2)nc1.
What is the InChIKey of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is JACRYLMTXYWVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-23(25,26)17-3-1-2-16(12-17)19-5-6-20(32-19)22(31)29-18-8-10-30(11-9-18)21-7-4-15(13-27)14-28-21/h1-7,12,14,18H,8-11H2,(H,29,31).
What are the key properties of N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86883697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).