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

C16H21N3O4 — CID 170502685

IUPAC6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-10-9-12(11-3-2-4-11)23-15(21)13(10)14(20)17-5-7-19-8-6-18-16(19)22/h9,11H,2-8H2,1H3,(H,17,20)(H,18,22)
InChIKeyJJMXGUMGQRQHLC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.97
Rot. Bonds5

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

6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide (PubChem CID 170502685) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
PubChem CID170502685
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C16H21N3O4/c1-10-9-12(11-3-2-4-11)23-15(21)13(10)14(20)17-5-7-19-8-6-18-16(19)22/h9,11H,2-8H2,1H3,(H,17,20)(H,18,22)
InChIKeyJJMXGUMGQRQHLC-UHFFFAOYSA-N
XLogP0.97
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170513085
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide
CID 170505914
4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
5-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 90649554
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyran-3-carboxamide
CID 170508114

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide (CID 170502685) is 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)NCCN1CCNC1=O.
What is the InChIKey of 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide?
The InChIKey is JJMXGUMGQRQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-9-12(11-3-2-4-11)23-15(21)13(10)14(20)17-5-7-19-8-6-18-16(19)22/h9,11H,2-8H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide?
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide is sourced from PubChem (CID 170502685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).