N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C12H19Cl2N3O — CID 119876328

IUPACN-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1cnccc1NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-8-13-6-4-11(9)15-12(16)7-10-3-2-5-14-10;;/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,13,15,16);2*1H
InChIKeyKTCDNCVXLPFXTK-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.31
Rot. Bonds3

About N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119876328) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119876328
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC NameN-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1cnccc1NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-9-8-13-6-4-11(9)15-12(16)7-10-3-2-5-14-10;;/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,13,15,16);2*1H
InChIKeyKTCDNCVXLPFXTK-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
2-(cyclopropylmethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671879
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119766849

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119876328) is N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cc1cnccc1NC(=O)CC1CCCN1.Cl.Cl.
What is the InChIKey of N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is KTCDNCVXLPFXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-9-8-13-6-4-11(9)15-12(16)7-10-3-2-5-14-10;;/h4,6,8,10,14H,2-3,5,7H2,1H3,(H,13,15,16);2*1H.
What are the key properties of N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).