4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C27H27N5O4 — CID 90456666

IUPAC4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(C)c(-c4cc(N5CCOCC5)c(=O)n(C)c4)c3)c2)no1
InChIInChI=1S/C27H27N5O4/c1-17-7-8-20(26(33)29-22-6-4-5-19(13-22)25-28-18(2)36-30-25)14-23(17)21-15-24(27(34)31(3)16-21)32-9-11-35-12-10-32/h4-8,13-16H,9-12H2,1-3H3,(H,29,33)
InChIKeyOYYJOGYUNRBWFA-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.81
Rot. Bonds5

About 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 90456666) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID90456666
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(C)c(-c4cc(N5CCOCC5)c(=O)n(C)c4)c3)c2)no1
InChIInChI=1S/C27H27N5O4/c1-17-7-8-20(26(33)29-22-6-4-5-19(13-22)25-28-18(2)36-30-25)14-23(17)21-15-24(27(34)31(3)16-21)32-9-11-35-12-10-32/h4-8,13-16H,9-12H2,1-3H3,(H,29,33)
InChIKeyOYYJOGYUNRBWFA-UHFFFAOYSA-N
XLogP3.81
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 90456666) is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(-c4cc(N5CCOCC5)c(=O)n(C)c4)c3)c2)no1.
What is the InChIKey of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is OYYJOGYUNRBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-17-7-8-20(26(33)29-22-6-4-5-19(13-22)25-28-18(2)36-30-25)14-23(17)21-15-24(27(34)31(3)16-21)32-9-11-35-12-10-32/h4-8,13-16H,9-12H2,1-3H3,(H,29,33).
What are the key properties of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 90456666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).