1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one

C16H26N2O — CID 107428313

IUPAC1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
SMILESCC(C)CC1CCCC(Nc2ccc(=O)n(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)17-15-7-8-16(19)18(3)11-15/h7-8,11-14,17H,4-6,9-10H2,1-3H3
InChIKeyJNBKWUQODGFNJI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds4

About 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one

1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one (PubChem CID 107428313) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
PubChem CID107428313
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one
SMILESCC(C)CC1CCCC(Nc2ccc(=O)n(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)17-15-7-8-16(19)18(3)11-15/h7-8,11-14,17H,4-6,9-10H2,1-3H3
InChIKeyJNBKWUQODGFNJI-UHFFFAOYSA-N
XLogP3.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one (CID 107428313) is 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one is CC(C)CC1CCCC(Nc2ccc(=O)n(C)c2)C1.
What is the InChIKey of 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one?
The InChIKey is JNBKWUQODGFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-13-5-4-6-14(10-13)17-15-7-8-16(19)18(3)11-15/h7-8,11-14,17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one?
1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(2-methylpropyl)cyclohexyl]amino]pyridin-2-one is sourced from PubChem (CID 107428313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).