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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Related Compounds

4-methyl-6-(3-methylbutyl)-2-oxo-N-(4-oxo-1H-pyridin-2-yl)pyran-3-carboxamide
CID 170504710
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169413200
4-methyl-6-(3-methylbutyl)-2-oxo-N-(2-pyridin-3-yloxypropyl)pyran-3-carboxamide
CID 169421708
methyl 1-[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]azetidine-3-carboxylate
CID 171387225
4-methyl-6-(3-methylbutyl)-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyran-3-carboxamide
CID 170512843
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512674
N-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170513092
3-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170502797
3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
methyl 1-[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]-5-oxopiperazine-2-carboxylate
CID 170510078
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 170512389
N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505852

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).