2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone

C16H24N4O — CID 116559796

IUPAC2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESNc1ncccc1CC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H24N4O/c17-16-12(3-1-7-19-16)11-15(21)14-4-2-10-20(14)13-5-8-18-9-6-13/h1,3,7,13-14,18H,2,4-6,8-11H2,(H2,17,19)
InChIKeyTWQOGPIGCATDTM-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.99
Rot. Bonds4

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

2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (PubChem CID 116559796) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
PubChem CID116559796
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
SMILESNc1ncccc1CC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H24N4O/c17-16-12(3-1-7-19-16)11-15(21)14-4-2-10-20(14)13-5-8-18-9-6-13/h1,3,7,13-14,18H,2,4-6,8-11H2,(H2,17,19)
InChIKeyTWQOGPIGCATDTM-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone (CID 116559796) is 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is Nc1ncccc1CC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
The InChIKey is TWQOGPIGCATDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-16-12(3-1-7-19-16)11-15(21)14-4-2-10-20(14)13-5-8-18-9-6-13/h1,3,7,13-14,18H,2,4-6,8-11H2,(H2,17,19).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone?
2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116559796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).