4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C31H28F3N3O3 — CID 130425555

IUPAC4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C31H28F3N3O3/c1-21-10-11-23(30(38)35-25-9-5-8-24(17-25)31(32,33)34)16-27(21)28-18-26(40-20-22-6-3-2-4-7-22)19-29(36-28)37-12-14-39-15-13-37/h2-11,16-19H,12-15,20H2,1H3,(H,35,38)
InChIKeyKDQMVNUFUZNLAP-UHFFFAOYSA-N
MW547.58 g/mol
LogP6.74
Rot. Bonds7

About 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 130425555) has the molecular formula C31H28F3N3O3 and a molecular weight of 547.58 g/mol. Its IUPAC name is 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID130425555
Molecular FormulaC31H28F3N3O3
Molecular Weight547.58 g/mol
Exact Mass547.21
IUPAC Name4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C31H28F3N3O3/c1-21-10-11-23(30(38)35-25-9-5-8-24(17-25)31(32,33)34)16-27(21)28-18-26(40-20-22-6-3-2-4-7-22)19-29(36-28)37-12-14-39-15-13-37/h2-11,16-19H,12-15,20H2,1H3,(H,35,38)
InChIKeyKDQMVNUFUZNLAP-UHFFFAOYSA-N
XLogP6.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.58
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 130425555) is 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KDQMVNUFUZNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N3O3/c1-21-10-11-23(30(38)35-25-9-5-8-24(17-25)31(32,33)34)16-27(21)28-18-26(40-20-22-6-3-2-4-7-22)19-29(36-28)37-12-14-39-15-13-37/h2-11,16-19H,12-15,20H2,1H3,(H,35,38).
What are the key properties of 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 547.58 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 130425555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).