N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C26H27F3N4O2 — CID 86297089

IUPACN-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O2/c1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
InChIKeyPABZMNZFBMSMPR-UHFFFAOYSA-N
MW484.52 g/mol
LogP5.23
Rot. Bonds5

About N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86297089) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID86297089
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O2/c1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33/h4-8,13-16H,9-12H2,1-3H3,(H,30,34)
InChIKeyPABZMNZFBMSMPR-UHFFFAOYSA-N
XLogP5.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 86297089) is N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N(C)C)nc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PABZMNZFBMSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-17-7-8-21(30-25(34)18-5-4-6-20(13-18)26(27,28)29)16-22(17)19-14-23(32(2)3)31-24(15-19)33-9-11-35-12-10-33/h4-8,13-16H,9-12H2,1-3H3,(H,30,34).
What are the key properties of N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 484.52 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86297089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).