2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

C16H24N2O2 — CID 116750361

IUPAC2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cnccc2N)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O2/c1-15(2)5-7-16(20-3,8-6-15)14(19)10-12-11-18-9-4-13(12)17/h4,9,11H,5-8,10H2,1-3H3,(H2,17,18)
InChIKeyQDKBCVRVUPGPQU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone

2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (PubChem CID 116750361) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
PubChem CID116750361
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
SMILESCOC1(C(=O)Cc2cnccc2N)CCC(C)(C)CC1
InChIInChI=1S/C16H24N2O2/c1-15(2)5-7-16(20-3,8-6-15)14(19)10-12-11-18-9-4-13(12)17/h4,9,11H,5-8,10H2,1-3H3,(H2,17,18)
InChIKeyQDKBCVRVUPGPQU-UHFFFAOYSA-N
XLogP2.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750292
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447755
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569400
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-(3-methoxyphenyl)ethanone
CID 116750169
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
CID 64981791
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(4-amino-3-pyridinyl)-4-(2-methoxyethoxy)butan-2-one
CID 102927478
1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746767

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone (CID 116750361) is 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is COC1(C(=O)Cc2cnccc2N)CCC(C)(C)CC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
The InChIKey is QDKBCVRVUPGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)5-7-16(20-3,8-6-15)14(19)10-12-11-18-9-4-13(12)17/h4,9,11H,5-8,10H2,1-3H3,(H2,17,18).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone?
2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 116750361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).