6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

C21H25N5O3 — CID 136577207

IUPAC6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cn2)CC(C)O1
InChIInChI=1S/C21H25N5O3/c1-14-12-25(13-15(2)29-14)19-7-6-16(11-23-19)20(27)24-17-4-3-5-18(10-17)26-9-8-22-21(26)28/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,28)(H,24,27)
InChIKeyGWPCDXJOOUTZHC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.48
Rot. Bonds4

About 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide

6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 136577207) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID136577207
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cn2)CC(C)O1
InChIInChI=1S/C21H25N5O3/c1-14-12-25(13-15(2)29-14)19-7-6-16(11-23-19)20(27)24-17-4-3-5-18(10-17)26-9-8-22-21(26)28/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,28)(H,24,27)
InChIKeyGWPCDXJOOUTZHC-UHFFFAOYSA-N
XLogP2.48
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide (CID 136577207) is 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is CC1CN(c2ccc(C(=O)Nc3cccc(N4CCNC4=O)c3)cn2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is GWPCDXJOOUTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-12-25(13-15(2)29-14)19-7-6-16(11-23-19)20(27)24-17-4-3-5-18(10-17)26-9-8-22-21(26)28/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,22,28)(H,24,27).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide?
6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 136577207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).