(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone

C13H19N3O — CID 81240937

IUPAC(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnccc2N)C(C)C1
InChIInChI=1S/C13H19N3O/c1-9-4-6-16(10(2)7-9)13(17)11-8-15-5-3-12(11)14/h3,5,8-10H,4,6-7H2,1-2H3,(H2,14,15)
InChIKeyRDEUXNXLGWZIOT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds1

About (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone

(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 81240937) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID81240937
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnccc2N)C(C)C1
InChIInChI=1S/C13H19N3O/c1-9-4-6-16(10(2)7-9)13(17)11-8-15-5-3-12(11)14/h3,5,8-10H,4,6-7H2,1-2H3,(H2,14,15)
InChIKeyRDEUXNXLGWZIOT-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(2,4-dimethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484614
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(3-amino-5-bromo-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107872673
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-pyridinyl)methanone
CID 81245899
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 81242396
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-amino-3-pyridinyl)methanone
CID 124572102
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268751

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone (CID 81240937) is (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnccc2N)C(C)C1.
What is the InChIKey of (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is RDEUXNXLGWZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-6-16(10(2)7-9)13(17)11-8-15-5-3-12(11)14/h3,5,8-10H,4,6-7H2,1-2H3,(H2,14,15).
What are the key properties of (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone?
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 81240937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).