N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C28H25F3N4O2 — CID 10164309

IUPACN-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccco3)CC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H25F3N4O2/c29-28(30,31)21-9-7-20(8-10-21)24-5-1-2-6-25(24)27(36)33-22-11-12-26(32-18-22)35-15-13-34(14-16-35)19-23-4-3-17-37-23/h1-12,17-18H,13-16,19H2,(H,33,36)
InChIKeySUYMNXGVYONXDY-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.93
Rot. Bonds6

About N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10164309) has the molecular formula C28H25F3N4O2 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10164309
Molecular FormulaC28H25F3N4O2
Molecular Weight506.53 g/mol
Exact Mass506.19
IUPAC NameN-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccco3)CC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H25F3N4O2/c29-28(30,31)21-9-7-20(8-10-21)24-5-1-2-6-25(24)27(36)33-22-11-12-26(32-18-22)35-15-13-34(14-16-35)19-23-4-3-17-37-23/h1-12,17-18H,13-16,19H2,(H,33,36)
InChIKeySUYMNXGVYONXDY-UHFFFAOYSA-N
XLogP5.93
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 10164309) is N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(N2CCN(Cc3ccco3)CC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SUYMNXGVYONXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2/c29-28(30,31)21-9-7-20(8-10-21)24-5-1-2-6-25(24)27(36)33-22-11-12-26(32-18-22)35-15-13-34(14-16-35)19-23-4-3-17-37-23/h1-12,17-18H,13-16,19H2,(H,33,36).
What are the key properties of N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 506.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10164309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).