[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride

C11H17Cl2N3O — CID 119411017

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
SMILESCc1cccc(C(=O)N2CC[C@@H](N)C2)n1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14;;/h2-4,9H,5-7,12H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyRCNRLPCBRQVNKX-KLQYNRQASA-N
MW278.18 g/mol
LogP1.41
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride (PubChem CID 119411017) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
PubChem CID119411017
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
SMILESCc1cccc(C(=O)N2CC[C@@H](N)C2)n1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14;;/h2-4,9H,5-7,12H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyRCNRLPCBRQVNKX-KLQYNRQASA-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

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118768512
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride (CID 119411017) is [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride is Cc1cccc(C(=O)N2CC[C@@H](N)C2)n1.Cl.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is RCNRLPCBRQVNKX-KLQYNRQASA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-8-3-2-4-10(13-8)11(15)14-6-5-9(12)7-14;;/h2-4,9H,5-7,12H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(6-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 [(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119411017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).