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

C27H27N7O4 — CID 178109286

IUPAC3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2CCN(c3nccc(-c4ccc(-n5c(OC)nn(C)c5=O)cc4)c3C)C2=O)c1
InChIInChI=1S/C27H27N7O4/c1-17-22(18-8-10-20(11-9-18)34-25(38-4)30-31(3)26(34)36)12-13-29-23(17)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(35)28-2/h5-13,16H,14-15H2,1-4H3,(H,28,35)
InChIKeyHYEHKSOXCQHPJS-UHFFFAOYSA-N
MW513.56 g/mol
LogP2.76
Rot. Bonds6

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

3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide (PubChem CID 178109286) has the molecular formula C27H27N7O4 and a molecular weight of 513.56 g/mol. Its IUPAC name is 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
PubChem CID178109286
Molecular FormulaC27H27N7O4
Molecular Weight513.56 g/mol
Exact Mass513.21
IUPAC Name3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(N2CCN(c3nccc(-c4ccc(-n5c(OC)nn(C)c5=O)cc4)c3C)C2=O)c1
InChIInChI=1S/C27H27N7O4/c1-17-22(18-8-10-20(11-9-18)34-25(38-4)30-31(3)26(34)36)12-13-29-23(17)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(35)28-2/h5-13,16H,14-15H2,1-4H3,(H,28,35)
InChIKeyHYEHKSOXCQHPJS-UHFFFAOYSA-N
XLogP2.76
TPSA114.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108870
3-[(5S)-3-[3-fluoro-4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-5-methyl-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178109449
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
3-[3-[6-ethyl-3-fluoro-4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109015
3-[3-[4-[5-[3-(difluoromethoxy)-1-methyl-5-oxo-1,2,4-triazol-4-yl]-2-pyridinyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109222
2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
CID 178108897
[3-fluoro-2-[3-[3-(methylcarbamoyl)phenyl]-2-oxoimidazolidin-1-yl]-4-pyridinyl]boronic acid
CID 178108981
3-[3-(4-chloro-3-ethyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]-N-methylbenzamide
CID 178108896
3-[3-[4-[4-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-3-ethyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109284
3-[3-[3-ethyl-4-[4-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]benzamide
CID 178109310
3-[3-(4-chloro-3-methyl-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 178109378
methyl 3-[3-(4-chloro-3-fluoro-2-pyridinyl)-2-oxoimidazolidin-1-yl]benzoate
CID 178108846

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide (CID 178109286) is 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide is CNC(=O)c1cccc(N2CCN(c3nccc(-c4ccc(-n5c(OC)nn(C)c5=O)cc4)c3C)C2=O)c1.
What is the InChIKey of 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
The InChIKey is HYEHKSOXCQHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O4/c1-17-22(18-8-10-20(11-9-18)34-25(38-4)30-31(3)26(34)36)12-13-29-23(17)33-15-14-32(27(33)37)21-7-5-6-19(16-21)24(35)28-2/h5-13,16H,14-15H2,1-4H3,(H,28,35).
What are the key properties of 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?
3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide has a molecular weight of 513.56 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-3-methyl-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 178109286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).