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

C23H22F3N5O2 — CID 2741889

IUPAC4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2)cc1
InChIInChI=1S/C23H22F3N5O2/c1-33-18-7-4-16(5-8-18)22(32)29-17-6-9-20(28-15-17)30-11-13-31(14-12-30)21-19(23(24,25)26)3-2-10-27-21/h2-10,15H,11-14H2,1H3,(H,29,32)
InChIKeyZAFFTCLUZNLHGZ-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.08
Rot. Bonds5

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

4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 2741889) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID2741889
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2)cc1
InChIInChI=1S/C23H22F3N5O2/c1-33-18-7-4-16(5-8-18)22(32)29-17-6-9-20(28-15-17)30-11-13-31(14-12-30)21-19(23(24,25)26)3-2-10-27-21/h2-10,15H,11-14H2,1H3,(H,29,32)
InChIKeyZAFFTCLUZNLHGZ-UHFFFAOYSA-N
XLogP4.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 2741889) is 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2)cc1.
What is the InChIKey of 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is ZAFFTCLUZNLHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-33-18-7-4-16(5-8-18)22(32)29-17-6-9-20(28-15-17)30-11-13-31(14-12-30)21-19(23(24,25)26)3-2-10-27-21/h2-10,15H,11-14H2,1H3,(H,29,32).
What are the key properties of 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide?
4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 457.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 2741889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).