3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one

C14H22N2O2 — CID 139425563

IUPAC3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
SMILESCCNc1cccn([C@H]2CCCC[C@H]2OC)c1=O
InChIInChI=1S/C14H22N2O2/c1-3-15-11-7-6-10-16(14(11)17)12-8-4-5-9-13(12)18-2/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyMKTLEHIQSPXGAF-QWHCGFSZSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds4

About 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one

3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one (PubChem CID 139425563) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
PubChem CID139425563
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one
SMILESCCNc1cccn([C@H]2CCCC[C@H]2OC)c1=O
InChIInChI=1S/C14H22N2O2/c1-3-15-11-7-6-10-16(14(11)17)12-8-4-5-9-13(12)18-2/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyMKTLEHIQSPXGAF-QWHCGFSZSA-N
XLogP2.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one (CID 139425563) is 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one is CCNc1cccn([C@H]2CCCC[C@H]2OC)c1=O.
What is the InChIKey of 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
The InChIKey is MKTLEHIQSPXGAF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-15-11-7-6-10-16(14(11)17)12-8-4-5-9-13(12)18-2/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one?
3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[(1S,2R)-2-methoxycyclohexyl]pyridin-2-one is sourced from PubChem (CID 139425563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).