2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride

C13H20ClN3O — CID 120629776

IUPAC2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN1C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-13(2)6-3-7-16(13)12(17)8-11-5-4-10(14)9-15-11;/h4-5,9H,3,6-8,14H2,1-2H3;1H
InChIKeyMJKKBSVPYFWBTI-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride

2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 120629776) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID120629776
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCC1(C)CCCN1C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-13(2)6-3-7-16(13)12(17)8-11-5-4-10(14)9-15-11;/h4-5,9H,3,6-8,14H2,1-2H3;1H
InChIKeyMJKKBSVPYFWBTI-UHFFFAOYSA-N
XLogP2.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride (CID 120629776) is 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride is CC1(C)CCCN1C(=O)Cc1ccc(N)cn1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is MJKKBSVPYFWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-13(2)6-3-7-16(13)12(17)8-11-5-4-10(14)9-15-11;/h4-5,9H,3,6-8,14H2,1-2H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride?
2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 120629776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).