2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride

C16H19ClN4O — CID 120647981

IUPAC2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N2CCCC2c2cccnc2)nc1
InChIInChI=1S/C16H18N4O.ClH/c17-13-5-6-14(19-11-13)9-16(21)20-8-2-4-15(20)12-3-1-7-18-10-12;/h1,3,5-7,10-11,15H,2,4,8-9,17H2;1H
InChIKeyIAZJQWBDIAEGSZ-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.39
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride

2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 120647981) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID120647981
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N2CCCC2c2cccnc2)nc1
InChIInChI=1S/C16H18N4O.ClH/c17-13-5-6-14(19-11-13)9-16(21)20-8-2-4-15(20)12-3-1-7-18-10-12;/h1,3,5-7,10-11,15H,2,4,8-9,17H2;1H
InChIKeyIAZJQWBDIAEGSZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
1-[2-(5-amino-2-pyridinyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622960
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride (CID 120647981) is 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride is Cl.Nc1ccc(CC(=O)N2CCCC2c2cccnc2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is IAZJQWBDIAEGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.ClH/c17-13-5-6-14(19-11-13)9-16(21)20-8-2-4-15(20)12-3-1-7-18-10-12;/h1,3,5-7,10-11,15H,2,4,8-9,17H2;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride?
2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120647981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).