4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C25H25F3N4O4 — CID 90408174

IUPAC4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4/c1-15-19(17-11-21(24(34)31(2)14-17)32-6-8-36-9-7-32)12-18(13-29-15)30-23(33)16-4-5-22(35-3)20(10-16)25(26,27)28/h4-5,10-14H,6-9H2,1-3H3,(H,30,33)
InChIKeyHTLLEJPPYZSTJI-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.87
Rot. Bonds5

About 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408174) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90408174
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC Name4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4/c1-15-19(17-11-21(24(34)31(2)14-17)32-6-8-36-9-7-32)12-18(13-29-15)30-23(33)16-4-5-22(35-3)20(10-16)25(26,27)28/h4-5,10-14H,6-9H2,1-3H3,(H,30,33)
InChIKeyHTLLEJPPYZSTJI-UHFFFAOYSA-N
XLogP3.87
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90408174) is 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HTLLEJPPYZSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-15-19(17-11-21(24(34)31(2)14-17)32-6-8-36-9-7-32)12-18(13-29-15)30-23(33)16-4-5-22(35-3)20(10-16)25(26,27)28/h4-5,10-14H,6-9H2,1-3H3,(H,30,33).
What are the key properties of 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 502.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).