N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

C18H22N2O4 — CID 170506893

IUPACN-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)cc(CCC(C)C)oc2=O)n1
InChIInChI=1S/C18H22N2O4/c1-11(2)8-9-13-10-12(3)16(18(22)24-13)17(21)20-14-6-5-7-15(19-14)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyPLVGJSNOYXPBIX-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.19
Rot. Bonds6

About N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide

N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (PubChem CID 170506893) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
PubChem CID170506893
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)cc(CCC(C)C)oc2=O)n1
InChIInChI=1S/C18H22N2O4/c1-11(2)8-9-13-10-12(3)16(18(22)24-13)17(21)20-14-6-5-7-15(19-14)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyPLVGJSNOYXPBIX-UHFFFAOYSA-N
XLogP3.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide (CID 170506893) is N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is COc1cccc(NC(=O)c2c(C)cc(CCC(C)C)oc2=O)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
The InChIKey is PLVGJSNOYXPBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(2)8-9-13-10-12(3)16(18(22)24-13)17(21)20-14-6-5-7-15(19-14)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21).
What are the key properties of N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide?
N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170506893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).