2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone

C13H19N3O — CID 116569400

IUPAC2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2cnccc2N)CCCNC1
InChIInChI=1S/C13H19N3O/c1-13(4-2-5-16-9-13)12(17)7-10-8-15-6-3-11(10)14/h3,6,8,16H,2,4-5,7,9H2,1H3,(H2,14,15)
InChIKeyBLRBYHUSRYHXPO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.17
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone

2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone (PubChem CID 116569400) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
PubChem CID116569400
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2cnccc2N)CCCNC1
InChIInChI=1S/C13H19N3O/c1-13(4-2-5-16-9-13)12(17)7-10-8-15-6-3-11(10)14/h3,6,8,16H,2,4-5,7,9H2,1H3,(H2,14,15)
InChIKeyBLRBYHUSRYHXPO-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
CID 116569322
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447755
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750361
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
2-(3-bromo-2,6-difluorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 114166834
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone (CID 116569400) is 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone is CC1(C(=O)Cc2cnccc2N)CCCNC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone?
The InChIKey is BLRBYHUSRYHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(4-2-5-16-9-13)12(17)7-10-8-15-6-3-11(10)14/h3,6,8,16H,2,4-5,7,9H2,1H3,(H2,14,15).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone?
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).