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

C26H25N5O4 — CID 90461154

IUPAC4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C26H25N5O4/c1-17-6-7-18(24(32)28-21-5-3-4-19(12-21)25-29-27-16-35-25)13-22(17)20-14-23(26(33)30(2)15-20)31-8-10-34-11-9-31/h3-7,12-16H,8-11H2,1-2H3,(H,28,32)
InChIKeyFQYQKNAXBUCBOX-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.50
Rot. Bonds5

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

4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 90461154) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID90461154
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C26H25N5O4/c1-17-6-7-18(24(32)28-21-5-3-4-19(12-21)25-29-27-16-35-25)13-22(17)20-14-23(26(33)30(2)15-20)31-8-10-34-11-9-31/h3-7,12-16H,8-11H2,1-2H3,(H,28,32)
InChIKeyFQYQKNAXBUCBOX-UHFFFAOYSA-N
XLogP3.50
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.50
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-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 90461154) is 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is FQYQKNAXBUCBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-17-6-7-18(24(32)28-21-5-3-4-19(12-21)25-29-27-16-35-25)13-22(17)20-14-23(26(33)30(2)15-20)31-8-10-34-11-9-31/h3-7,12-16H,8-11H2,1-2H3,(H,28,32).
What are the key properties of 4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 471.52 g/mol, XLogP of 3.50, 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-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 90461154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).