5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one

C15H25N3O — CID 61439168

IUPAC5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCC(N(C)CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C15H25N3O/c1-12-3-6-14(7-4-12)17(2)9-10-18-11-13(16)5-8-15(18)19/h5,8,11-12,14H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyJCZKYLPMXLESKM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds4

About 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one (PubChem CID 61439168) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
PubChem CID61439168
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one
SMILESCC1CCC(N(C)CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C15H25N3O/c1-12-3-6-14(7-4-12)17(2)9-10-18-11-13(16)5-8-15(18)19/h5,8,11-12,14H,3-4,6-7,9-10,16H2,1-2H3
InChIKeyJCZKYLPMXLESKM-UHFFFAOYSA-N
XLogP1.94
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one (CID 61439168) is 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one is CC1CCC(N(C)CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one?
The InChIKey is JCZKYLPMXLESKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-3-6-14(7-4-12)17(2)9-10-18-11-13(16)5-8-15(18)19/h5,8,11-12,14H,3-4,6-7,9-10,16H2,1-2H3.
What are the key properties of 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 61439168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).