1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one

C14H22N2O2 — CID 54864065

IUPAC1-ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one
SMILESCCN1C=C(C=CC1=O)NC2CCCCC2OC
InChIInChI=1S/C14H22N2O2/c1-3-16-10-11(8-9-14(16)17)15-12-6-4-5-7-13(12)18-2/h8-10,12-13,15H,3-7H2,1-2H3
InChIKeyQYBRKTMBRAFXOB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.60
Rot. Bonds4

About 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one

1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one (PubChem CID 54864065) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one
PubChem CID54864065
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one
SMILESCCN1C=C(C=CC1=O)NC2CCCCC2OC
InChIInChI=1S/C14H22N2O2/c1-3-16-10-11(8-9-14(16)17)15-12-6-4-5-7-13(12)18-2/h8-10,12-13,15H,3-7H2,1-2H3
InChIKeyQYBRKTMBRAFXOB-UHFFFAOYSA-N
XLogP1.60
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity363

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137449049
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CID 137449052
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CID 137449065
CID 137449065
CID 137449067
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CID 137449089
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CID 137449432
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CID 137450550
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CID 137450551

Frequently Asked Questions

What is the IUPAC name of 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one?
The IUPAC name of 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one (CID 54864065) is 1-ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one.
What is the SMILES notation for 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one?
The canonical SMILES for 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one is CCN1C=C(C=CC1=O)NC2CCCCC2OC.
What is the InChIKey of 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one?
The InChIKey is QYBRKTMBRAFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-10-11(8-9-14(16)17)15-12-6-4-5-7-13(12)18-2/h8-10,12-13,15H,3-7H2,1-2H3.
What are the key properties of 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one?
1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethyl-5-[(2-methoxycyclohexyl)amino]pyridin-2-one is sourced from PubChem (CID 54864065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).