3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

C28H29N7O4 — CID 178109172

IUPAC3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCC1CN(c2nccc(-c3ccc(-n4c(OC)nn(C)c4=O)cc3)c2C)C(=O)N1c1cccc(C(N)=O)c1
InChIInChI=1S/C28H29N7O4/c1-5-20-16-33(28(38)34(20)22-8-6-7-19(15-22)24(29)36)25-17(2)23(13-14-30-25)18-9-11-21(12-10-18)35-26(39-4)31-32(3)27(35)37/h6-15,20H,5,16H2,1-4H3,(H2,29,36)
InChIKeyXXUDMUAIONJRLW-UHFFFAOYSA-N
MW527.59 g/mol
LogP3.27
Rot. Bonds7

About 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide

3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (PubChem CID 178109172) has the molecular formula C28H29N7O4 and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
PubChem CID178109172
Molecular FormulaC28H29N7O4
Molecular Weight527.59 g/mol
Exact Mass527.23
IUPAC Name3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
SMILESCCC1CN(c2nccc(-c3ccc(-n4c(OC)nn(C)c4=O)cc3)c2C)C(=O)N1c1cccc(C(N)=O)c1
InChIInChI=1S/C28H29N7O4/c1-5-20-16-33(28(38)34(20)22-8-6-7-19(15-22)24(29)36)25-17(2)23(13-14-30-25)18-9-11-21(12-10-18)35-26(39-4)31-32(3)27(35)37/h6-15,20H,5,16H2,1-4H3,(H2,29,36)
InChIKeyXXUDMUAIONJRLW-UHFFFAOYSA-N
XLogP3.27
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?
The IUPAC name of 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide (CID 178109172) is 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is CCC1CN(c2nccc(-c3ccc(-n4c(OC)nn(C)c4=O)cc3)c2C)C(=O)N1c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?
The InChIKey is XXUDMUAIONJRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O4/c1-5-20-16-33(28(38)34(20)22-8-6-7-19(15-22)24(29)36)25-17(2)23(13-14-30-25)18-9-11-21(12-10-18)35-26(39-4)31-32(3)27(35)37/h6-15,20H,5,16H2,1-4H3,(H2,29,36).
What are the key properties of 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide?
3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide has a molecular weight of 527.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 178109172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).