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

C18H20N2O5 — CID 170509223

IUPAC6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(OC)n1
InChIInChI=1S/C18H20N2O5/c1-10-9-13(11-5-4-6-11)25-18(22)15(10)16(21)19-12-7-8-14(23-2)20-17(12)24-3/h7-9,11H,4-6H2,1-3H3,(H,19,21)
InChIKeyQATDELNGBAYIFP-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.88
Rot. Bonds5

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

6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170509223) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170509223
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(OC)n1
InChIInChI=1S/C18H20N2O5/c1-10-9-13(11-5-4-6-11)25-18(22)15(10)16(21)19-12-7-8-14(23-2)20-17(12)24-3/h7-9,11H,4-6H2,1-3H3,(H,19,21)
InChIKeyQATDELNGBAYIFP-UHFFFAOYSA-N
XLogP2.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170504391
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
6-cyclobutyl-N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170506110
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
CID 170502948
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide (CID 170509223) is 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide is COc1ccc(NC(=O)c2c(C)cc(C3CCC3)oc2=O)c(OC)n1.
What is the InChIKey of 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is QATDELNGBAYIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-10-9-13(11-5-4-6-11)25-18(22)15(10)16(21)19-12-7-8-14(23-2)20-17(12)24-3/h7-9,11H,4-6H2,1-3H3,(H,19,21).
What are the key properties of 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170509223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).