4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H26N2O2 — CID 131939405

IUPAC4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(CC(C)C)CCC2)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-11(2)9-17(6-5-7-17)10-18-15(20)14-12(3)8-13(4)19-16(14)21/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyRVFYACOCFCRVLR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds5

About 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 131939405) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID131939405
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2(CC(C)C)CCC2)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-11(2)9-17(6-5-7-17)10-18-15(20)14-12(3)8-13(4)19-16(14)21/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyRVFYACOCFCRVLR-UHFFFAOYSA-N
XLogP2.94
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 131939405) is 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2(CC(C)C)CCC2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RVFYACOCFCRVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)9-17(6-5-7-17)10-18-15(20)14-12(3)8-13(4)19-16(14)21/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[1-(2-methylpropyl)cyclobutyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131939405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).