N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C28H29F3N4O4 — CID 123214845

IUPACN-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCC(O)C2)c(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O4/c1-17-24(13-21(16-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-25(35-7-9-38-10-8-35)27(33-15-19)39-23-6-5-22(36)14-23/h2-4,11-13,15-16,22-23,36H,5-10,14H2,1H3,(H,34,37)
InChIKeyPCPBCWBSNIULDF-UHFFFAOYSA-N
MW542.56 g/mol
LogP4.85
Rot. Bonds6

About N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 123214845) has the molecular formula C28H29F3N4O4 and a molecular weight of 542.56 g/mol. Its IUPAC name is N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID123214845
Molecular FormulaC28H29F3N4O4
Molecular Weight542.56 g/mol
Exact Mass542.21
IUPAC NameN-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCC(O)C2)c(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O4/c1-17-24(13-21(16-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-25(35-7-9-38-10-8-35)27(33-15-19)39-23-6-5-22(36)14-23/h2-4,11-13,15-16,22-23,36H,5-10,14H2,1H3,(H,34,37)
InChIKeyPCPBCWBSNIULDF-UHFFFAOYSA-N
XLogP4.85
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90409579
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456597
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
2-[5-[2-Methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-ylpyridin-2-yl]oxyethyl dihydrogen phosphate
CID 118938861
N-[5-[6-[(3S,4S)-3-methoxyoxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118887129
N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408059
N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408138
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 90408156

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 123214845) is N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(3-hydroxycyclopentyl)oxy-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(OC2CCC(O)C2)c(N2CCOCC2)c1.
What is the InChIKey of N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PCPBCWBSNIULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O4/c1-17-24(13-21(16-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-25(35-7-9-38-10-8-35)27(33-15-19)39-23-6-5-22(36)14-23/h2-4,11-13,15-16,22-23,36H,5-10,14H2,1H3,(H,34,37).
What are the key properties of N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 542.56 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3-hydroxycyclopentyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123214845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).