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

C27H29F3N4O4 — CID 90456866

IUPACN-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCO[C@@H](C)COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C27H29F3N4O4/c1-17(36-3)16-38-26-24(34-7-9-37-10-8-34)12-20(14-32-26)23-13-22(15-31-18(23)2)33-25(35)19-5-4-6-21(11-19)27(28,29)30/h4-6,11-15,17H,7-10,16H2,1-3H3,(H,33,35)/t17-/m0/s1
InChIKeyOWLWCBXQZLBGRU-KRWDZBQOSA-N
MW530.55 g/mol
LogP4.97
Rot. Bonds8

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

N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456866) has the molecular formula C27H29F3N4O4 and a molecular weight of 530.55 g/mol. Its IUPAC name is N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456866
Molecular FormulaC27H29F3N4O4
Molecular Weight530.55 g/mol
Exact Mass530.21
IUPAC NameN-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCO[C@@H](C)COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C27H29F3N4O4/c1-17(36-3)16-38-26-24(34-7-9-37-10-8-34)12-20(14-32-26)23-13-22(15-31-18(23)2)33-25(35)19-5-4-6-21(11-19)27(28,29)30/h4-6,11-15,17H,7-10,16H2,1-3H3,(H,33,35)/t17-/m0/s1
InChIKeyOWLWCBXQZLBGRU-KRWDZBQOSA-N
XLogP4.97
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
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
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
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
4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
CID 2800172
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456866) is N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CO[C@@H](C)COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OWLWCBXQZLBGRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H29F3N4O4/c1-17(36-3)16-38-26-24(34-7-9-37-10-8-34)12-20(14-32-26)23-13-22(15-31-18(23)2)33-25(35)19-5-4-6-21(11-19)27(28,29)30/h4-6,11-15,17H,7-10,16H2,1-3H3,(H,33,35)/t17-/m0/s1.
What are the key properties of N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 530.55 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[(2S)-2-methoxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).