4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide

C21H23N3O5 — CID 170508114

IUPAC4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-11-17(14-5-9-28-10-6-14)29-20(26)18(13)19(25)23-15-3-2-4-16(12-15)24-8-7-22-21(24)27/h2-4,11-12,14H,5-10H2,1H3,(H,22,27)(H,23,25)
InChIKeyBNBBUCNKKCLESQ-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide

4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide (PubChem CID 170508114) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
PubChem CID170508114
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H23N3O5/c1-13-11-17(14-5-9-28-10-6-14)29-20(26)18(13)19(25)23-15-3-2-4-16(12-15)24-8-7-22-21(24)27/h2-4,11-12,14H,5-10H2,1H3,(H,22,27)(H,23,25)
InChIKeyBNBBUCNKKCLESQ-UHFFFAOYSA-N
XLogP2.62
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-6-(oxolan-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyran-3-carboxamide
CID 170504390
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
CID 170505549
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide
CID 120787794
3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 52513315
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide (CID 170508114) is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide?
The InChIKey is BNBBUCNKKCLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13-11-17(14-5-9-28-10-6-14)29-20(26)18(13)19(25)23-15-3-2-4-16(12-15)24-8-7-22-21(24)27/h2-4,11-12,14H,5-10H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide?
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide is sourced from PubChem (CID 170508114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).