5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C25H25F3N4O4 — CID 118889378

IUPAC5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O4/c1-16-21(17-12-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)11-18(15-29-16)23(34)31-20-4-2-3-19(13-20)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34)
InChIKeyOIAPKAMTFQBPCD-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.93
Rot. Bonds7

About 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 118889378) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID118889378
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC Name5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C25H25F3N4O4/c1-16-21(17-12-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)11-18(15-29-16)23(34)31-20-4-2-3-19(13-20)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34)
InChIKeyOIAPKAMTFQBPCD-UHFFFAOYSA-N
XLogP3.93
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 118889378) is 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OIAPKAMTFQBPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-16-21(17-12-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)11-18(15-29-16)23(34)31-20-4-2-3-19(13-20)25(26,27)28/h2-4,11-15,33H,5-10H2,1H3,(H,31,34).
What are the key properties of 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118889378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).