4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C18H22N2O3 — CID 170505873

IUPAC4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(C)ccn2)c(=O)o1
InChIInChI=1S/C18H22N2O3/c1-5-6-12(3)14-10-13(4)16(18(22)23-14)17(21)20-15-9-11(2)7-8-19-15/h7-10,12H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyDDVLOGAOTAREGP-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.81
Rot. Bonds5

About 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide

4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170505873) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170505873
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)Nc2cc(C)ccn2)c(=O)o1
InChIInChI=1S/C18H22N2O3/c1-5-6-12(3)14-10-13(4)16(18(22)23-14)17(21)20-15-9-11(2)7-8-19-15/h7-10,12H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyDDVLOGAOTAREGP-UHFFFAOYSA-N
XLogP3.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170505873) is 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)Nc2cc(C)ccn2)c(=O)o1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is DDVLOGAOTAREGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-5-6-12(3)14-10-13(4)16(18(22)23-14)17(21)20-15-9-11(2)7-8-19-15/h7-10,12H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170505873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).