5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one

C16H26N2O2 — CID 64751006

IUPAC5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC2CC(C)CC(C)C2)ccc1=O
InChIInChI=1S/C16H26N2O2/c1-12-8-13(2)10-15(9-12)17-14-4-5-16(19)18(11-14)6-7-20-3/h4-5,11-13,15,17H,6-10H2,1-3H3
InChIKeyBIEMXZANAQSRDC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.73
Rot. Bonds5

About 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one

5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 64751006) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID64751006
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NC2CC(C)CC(C)C2)ccc1=O
InChIInChI=1S/C16H26N2O2/c1-12-8-13(2)10-15(9-12)17-14-4-5-16(19)18(11-14)6-7-20-3/h4-5,11-13,15,17H,6-10H2,1-3H3
InChIKeyBIEMXZANAQSRDC-UHFFFAOYSA-N
XLogP2.73
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one (CID 64751006) is 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(NC2CC(C)CC(C)C2)ccc1=O.
What is the InChIKey of 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is BIEMXZANAQSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-8-13(2)10-15(9-12)17-14-4-5-16(19)18(11-14)6-7-20-3/h4-5,11-13,15,17H,6-10H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one?
5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 64751006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).