1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one

C16H26N2O2 — CID 106662121

IUPAC1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one
SMILESCOCCn1cc(NC2CC(C)(C)CC2C)ccc1=O
InChIInChI=1S/C16H26N2O2/c1-12-9-16(2,3)10-14(12)17-13-5-6-15(19)18(11-13)7-8-20-4/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyJVIRWWOLTBQOPQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one

1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one (PubChem CID 106662121) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one
PubChem CID106662121
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one
SMILESCOCCn1cc(NC2CC(C)(C)CC2C)ccc1=O
InChIInChI=1S/C16H26N2O2/c1-12-9-16(2,3)10-14(12)17-13-5-6-15(19)18(11-13)7-8-20-4/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyJVIRWWOLTBQOPQ-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 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one (CID 106662121) is 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one is COCCn1cc(NC2CC(C)(C)CC2C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one?
The InChIKey is JVIRWWOLTBQOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-9-16(2,3)10-14(12)17-13-5-6-15(19)18(11-13)7-8-20-4/h5-6,11-12,14,17H,7-10H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one?
1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]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 1-(2-methoxyethyl)-5-[(2,4,4-trimethylcyclopentyl)amino]pyridin-2-one is sourced from PubChem (CID 106662121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).