(3-amino-2-pyridinyl)-cyclohexylmethanone

C12H16N2O — CID 116613694

IUPAC(3-amino-2-pyridinyl)-cyclohexylmethanone
SMILESNc1cccnc1C(=O)C1CCCCC1
InChIInChI=1S/C12H16N2O/c13-10-7-4-8-14-11(10)12(15)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,13H2
InChIKeyJVURLKCECRUYHE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds2

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

(3-amino-2-pyridinyl)-cyclohexylmethanone (PubChem CID 116613694) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-cyclohexylmethanone
PubChem CID116613694
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-amino-2-pyridinyl)-cyclohexylmethanone
SMILESNc1cccnc1C(=O)C1CCCCC1
InChIInChI=1S/C12H16N2O/c13-10-7-4-8-14-11(10)12(15)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,13H2
InChIKeyJVURLKCECRUYHE-UHFFFAOYSA-N
XLogP2.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 116613730
3-(cyclohexanecarbonyl)pyridine-2-carboxylic acid
CID 23364091
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 104741907
cycloheptyl-(2-fluoro-3-pyridinyl)methanone
CID 69292771
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
CID 175039329
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-cyclohexylmethanone?
The IUPAC name of (3-amino-2-pyridinyl)-cyclohexylmethanone (CID 116613694) is (3-amino-2-pyridinyl)-cyclohexylmethanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-cyclohexylmethanone?
The canonical SMILES for (3-amino-2-pyridinyl)-cyclohexylmethanone is Nc1cccnc1C(=O)C1CCCCC1.
What is the InChIKey of (3-amino-2-pyridinyl)-cyclohexylmethanone?
The InChIKey is JVURLKCECRUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-10-7-4-8-14-11(10)12(15)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,13H2.
What are the key properties of (3-amino-2-pyridinyl)-cyclohexylmethanone?
(3-amino-2-pyridinyl)-cyclohexylmethanone has a molecular weight of 204.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-cyclohexylmethanone is sourced from PubChem (CID 116613694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).