N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H27F3N4O4 — CID 90456493

IUPACN-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O4/c1-16(34)15-37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35)/t16-/m1/s1
InChIKeyWIXHYXLSQXWVLT-MRXNPFEDSA-N
MW516.52 g/mol
LogP4.32
Rot. Bonds7

About N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456493) has the molecular formula C26H27F3N4O4 and a molecular weight of 516.52 g/mol. Its IUPAC name is N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456493
Molecular FormulaC26H27F3N4O4
Molecular Weight516.52 g/mol
Exact Mass516.20
IUPAC NameN-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1
InChIInChI=1S/C26H27F3N4O4/c1-16(34)15-37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35)/t16-/m1/s1
InChIKeyWIXHYXLSQXWVLT-MRXNPFEDSA-N
XLogP4.32
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456493) is N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.
What is the InChIKey of N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WIXHYXLSQXWVLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27F3N4O4/c1-16(34)15-37-25-23(33-6-8-36-9-7-33)11-19(13-31-25)22-12-21(14-30-17(22)2)32-24(35)18-4-3-5-20(10-18)26(27,28)29/h3-5,10-14,16,34H,6-9,15H2,1-2H3,(H,32,35)/t16-/m1/s1.
What are the key properties of N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 516.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).