6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide

C18H20N2O3 — CID 171389472

IUPAC6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cnc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-10-7-12(3)16(19-9-10)20-17(21)15-11(2)8-14(23-18(15)22)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyZOKNEGDVZDHEBG-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.48
Rot. Bonds3

About 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide

6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 171389472) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
PubChem CID171389472
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cnc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(C)c1
InChIInChI=1S/C18H20N2O3/c1-10-7-12(3)16(19-9-10)20-17(21)15-11(2)8-14(23-18(15)22)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyZOKNEGDVZDHEBG-UHFFFAOYSA-N
XLogP3.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
CID 170502948
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387971

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide (CID 171389472) is 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide is Cc1cnc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(C)c1.
What is the InChIKey of 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is ZOKNEGDVZDHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10-7-12(3)16(19-9-10)20-17(21)15-11(2)8-14(23-18(15)22)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 171389472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).