(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride

C11H17Cl2N3O — CID 119482706

IUPAC(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
SMILESCc1cccnc1C(=O)N1CCC(N)C1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-5-13-10(8)11(15)14-6-4-9(12)7-14;;/h2-3,5,9H,4,6-7,12H2,1H3;2*1H
InChIKeyXDBWDYSPNIZXPJ-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.41
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride

(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119482706) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
PubChem CID119482706
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
SMILESCc1cccnc1C(=O)N1CCC(N)C1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-5-13-10(8)11(15)14-6-4-9(12)7-14;;/h2-3,5,9H,4,6-7,12H2,1H3;2*1H
InChIKeyXDBWDYSPNIZXPJ-UHFFFAOYSA-N
XLogP1.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
(3-methyl-2-pyridinyl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245569
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
(3-aminopyrrolidin-1-yl)-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119482806
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride (CID 119482706) is (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride is Cc1cccnc1C(=O)N1CCC(N)C1.Cl.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is XDBWDYSPNIZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-8-3-2-5-13-10(8)11(15)14-6-4-9(12)7-14;;/h2-3,5,9H,4,6-7,12H2,1H3;2*1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride?
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119482706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).