N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C28H31F3N4O5 — CID 155551788

IUPACN-[5-[6-(1,5-dihydroxypentan-3-yloxy)-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(CCO)CCO)c(N2CCOCC2)c1
InChIInChI=1S/C28H31F3N4O5/c1-18-24(15-22(17-32-18)34-26(38)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-39-12-8-35)27(33-16-20)40-23(5-9-36)6-10-37/h2-4,13-17,23,36-37H,5-12H2,1H3,(H,34,38)
InChIKeyJRJYMUXAODUZEU-UHFFFAOYSA-N
MW560.57 g/mol
LogP4.07
Rot. Bonds10

About N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 155551788) has the molecular formula C28H31F3N4O5 and a molecular weight of 560.57 g/mol. Its IUPAC name is N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID155551788
Molecular FormulaC28H31F3N4O5
Molecular Weight560.57 g/mol
Exact Mass560.22
IUPAC NameN-[5-[6-(1,5-dihydroxypentan-3-yloxy)-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(CCO)CCO)c(N2CCOCC2)c1
InChIInChI=1S/C28H31F3N4O5/c1-18-24(15-22(17-32-18)34-26(38)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-39-12-8-35)27(33-16-20)40-23(5-9-36)6-10-37/h2-4,13-17,23,36-37H,5-12H2,1H3,(H,34,38)
InChIKeyJRJYMUXAODUZEU-UHFFFAOYSA-N
XLogP4.07
TPSA117.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.57
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 59226441
N-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 72548912
N-[3-(2-methoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295254

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 155551788) is N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-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(CCO)CCO)c(N2CCOCC2)c1.
What is the InChIKey of N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JRJYMUXAODUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O5/c1-18-24(15-22(17-32-18)34-26(38)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-39-12-8-35)27(33-16-20)40-23(5-9-36)6-10-37/h2-4,13-17,23,36-37H,5-12H2,1H3,(H,34,38).
What are the key properties of N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 560.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(1,5-dihydroxypentan-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 155551788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).