6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide

C19H25N3O3 — CID 170503707

IUPAC6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1c(C)cc(C2CCC2)oc1=O
InChIInChI=1S/C19H25N3O3/c1-4-9-22(12-16-20-8-10-21(16)3)18(23)17-13(2)11-15(25-19(17)24)14-6-5-7-14/h8,10-11,14H,4-7,9,12H2,1-3H3
InChIKeyKGRMCFXFKZHOGZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.00
Rot. Bonds6

About 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide

6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide (PubChem CID 170503707) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
PubChem CID170503707
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide
SMILESCCCN(Cc1nccn1C)C(=O)c1c(C)cc(C2CCC2)oc1=O
InChIInChI=1S/C19H25N3O3/c1-4-9-22(12-16-20-8-10-21(16)3)18(23)17-13(2)11-15(25-19(17)24)14-6-5-7-14/h8,10-11,14H,4-7,9,12H2,1-3H3
InChIKeyKGRMCFXFKZHOGZ-UHFFFAOYSA-N
XLogP3.00
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
N-[(1-methylimidazol-2-yl)methyl]-3-(oxan-4-yl)-N-propylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500132
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
6-cyclobutyl-N-[3-(2-methoxyphenoxy)propyl]-N,4-dimethyl-2-oxopyran-3-carboxamide
CID 170503820
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
CID 72843385
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
CID 95727042

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide (CID 170503707) is 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide is CCCN(Cc1nccn1C)C(=O)c1c(C)cc(C2CCC2)oc1=O.
What is the InChIKey of 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide?
The InChIKey is KGRMCFXFKZHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-9-22(12-16-20-8-10-21(16)3)18(23)17-13(2)11-15(25-19(17)24)14-6-5-7-14/h8,10-11,14H,4-7,9,12H2,1-3H3.
What are the key properties of 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide?
6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propylpyran-3-carboxamide is sourced from PubChem (CID 170503707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).