6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide

C18H28N2O3 — CID 84590891

IUPAC6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2OCCC(C)C)c[nH]1
InChIInChI=1S/C18H28N2O3/c1-12(2)8-9-23-17-7-5-4-6-15(17)20-18(22)14-11-19-13(3)10-16(14)21/h10-12,15,17H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYMGZWMOMKDOURU-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.79
Rot. Bonds6

About 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 84590891) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID84590891
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCC2OCCC(C)C)c[nH]1
InChIInChI=1S/C18H28N2O3/c1-12(2)8-9-23-17-7-5-4-6-15(17)20-18(22)14-11-19-13(3)10-16(14)21/h10-12,15,17H,4-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYMGZWMOMKDOURU-UHFFFAOYSA-N
XLogP2.79
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide (CID 84590891) is 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCCCC2OCCC(C)C)c[nH]1.
What is the InChIKey of 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YMGZWMOMKDOURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)8-9-23-17-7-5-4-6-15(17)20-18(22)14-11-19-13(3)10-16(14)21/h10-12,15,17H,4-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 84590891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).