(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone

C13H19N3O — CID 104742371

IUPAC(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C13H19N3O/c1-13(2)6-4-8-16(9-13)12(17)11-10(14)5-3-7-15-11/h3,5,7H,4,6,8-9,14H2,1-2H3
InChIKeyZRBOJZHWBMSLCC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds1

About (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone

(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 104742371) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID104742371
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1(C)CCCN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C13H19N3O/c1-13(2)6-4-8-16(9-13)12(17)11-10(14)5-3-7-15-11/h3,5,7H,4,6,8-9,14H2,1-2H3
InChIKeyZRBOJZHWBMSLCC-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104742274
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219495
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
[4-(3-aminopyridine-2-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 136556893
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4,4-dimethylazepan-1-yl)methanone
CID 107524532
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone (CID 104742371) is (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)c2ncccc2N)C1.
What is the InChIKey of (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is ZRBOJZHWBMSLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)6-4-8-16(9-13)12(17)11-10(14)5-3-7-15-11/h3,5,7H,4,6,8-9,14H2,1-2H3.
What are the key properties of (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone?
(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 104742371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).