N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C26H23F3N4O3 — CID 90408690

IUPACN-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1
InChIInChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34)
InChIKeyGLQHXZGNENSPJX-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.45
Rot. Bonds5

About N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408690) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID90408690
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1
InChIInChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34)
InChIKeyGLQHXZGNENSPJX-UHFFFAOYSA-N
XLogP4.45
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 90408690) is N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(CC#N)c1.
What is the InChIKey of N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GLQHXZGNENSPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-17-5-6-21(31-24(34)18-3-2-4-20(13-18)26(27,28)29)15-22(17)19-14-23(32-9-11-36-12-10-32)25(35)33(16-19)8-7-30/h2-6,13-16H,8-12H2,1H3,(H,31,34).
What are the key properties of N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 496.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyanomethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).