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

C31H28F3N3O3 — CID 90409402

IUPACN-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C31H28F3N3O3/c1-21-10-11-25(35-30(38)23-8-5-9-24(16-23)31(32,33)34)17-27(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)
InChIKeyQITBAEVSFCQPKU-UHFFFAOYSA-N
MW547.58 g/mol
LogP6.74
Rot. Bonds7

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

N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90409402) has the molecular formula C31H28F3N3O3 and a molecular weight of 547.58 g/mol. Its IUPAC name is N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90409402
Molecular FormulaC31H28F3N3O3
Molecular Weight547.58 g/mol
Exact Mass547.21
IUPAC NameN-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C31H28F3N3O3/c1-21-10-11-25(35-30(38)23-8-5-9-24(16-23)31(32,33)34)17-27(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)
InChIKeyQITBAEVSFCQPKU-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 N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 90409402) is N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(OCc2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QITBAEVSFCQPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N3O3/c1-21-10-11-25(35-30(38)23-8-5-9-24(16-23)31(32,33)34)17-27(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 N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)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 N-[4-methyl-3-(6-morpholin-4-yl-4-phenylmethoxy-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90409402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).