N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride

C26H27ClF3N3O3 — CID 66723750

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C26H26F3N3O3.ClH/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);1H
InChIKeyCCOBSFIJWZCPMV-UHFFFAOYSA-N
MW521.97 g/mol
LogP6.24
Rot. Bonds5

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride (PubChem CID 66723750) has the molecular formula C26H27ClF3N3O3 and a molecular weight of 521.97 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride
PubChem CID66723750
Molecular FormulaC26H27ClF3N3O3
Molecular Weight521.97 g/mol
Exact Mass521.17
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride
SMILESCc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C26H26F3N3O3.ClH/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);1H
InChIKeyCCOBSFIJWZCPMV-UHFFFAOYSA-N
XLogP6.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.97
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1,1-difluoroethoxy)phenyl]-N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methylbenzamide
CID 143960636
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
CID 71044289
2-chloro-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 174579949
N-(6-heptan-4-yloxy-3-pyridinyl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 71044280
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 118155414
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-4-methoxyquinoline-3-carboxamide
CID 140791786
N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzamide
CID 97024221
1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
CID 94819448
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
CID 55786434

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride (CID 66723750) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride is Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride?
The InChIKey is CCOBSFIJWZCPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3.ClH/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);1H.
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride has a molecular weight of 521.97 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 66723750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).