(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone

C13H18N2O — CID 177138344

IUPAC(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone
SMILESCc1ccc(C(=O)C2CCCCC2)c(N)n1
InChIInChI=1S/C13H18N2O/c1-9-7-8-11(13(14)15-9)12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,15)
InChIKeyJUIMOKPRIKNJIG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds2

About (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone

(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone (PubChem CID 177138344) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone
PubChem CID177138344
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone
SMILESCc1ccc(C(=O)C2CCCCC2)c(N)n1
InChIInChI=1S/C13H18N2O/c1-9-7-8-11(13(14)15-9)12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,15)
InChIKeyJUIMOKPRIKNJIG-UHFFFAOYSA-N
XLogP2.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
CID 105099428
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone
CID 105124937
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
cyclohexyl-(4,6-diaminotriazin-5-yl)methanone
CID 141052840
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
CID 175039329
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone?
The IUPAC name of (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone (CID 177138344) is (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone.
What is the SMILES notation for (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone?
The canonical SMILES for (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone is Cc1ccc(C(=O)C2CCCCC2)c(N)n1.
What is the InChIKey of (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone?
The InChIKey is JUIMOKPRIKNJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-7-8-11(13(14)15-9)12(16)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H2,14,15).
What are the key properties of (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone?
(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone is sourced from PubChem (CID 177138344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).