[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone

C10H12ClN3O — CID 129415328

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
SMILESN[C@H]1CCN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H12ClN3O/c11-9-2-1-7(5-13-9)10(15)14-4-3-8(12)6-14/h1-2,5,8H,3-4,6,12H2/t8-/m0/s1
InChIKeyPXKYMFIYKCENBM-QMMMGPOBSA-N
MW225.68 g/mol
LogP0.91
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone (PubChem CID 129415328) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
PubChem CID129415328
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
SMILESN[C@H]1CCN(C(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C10H12ClN3O/c11-9-2-1-7(5-13-9)10(15)14-4-3-8(12)6-14/h1-2,5,8H,3-4,6,12H2/t8-/m0/s1
InChIKeyPXKYMFIYKCENBM-QMMMGPOBSA-N
XLogP0.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone (CID 129415328) is [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone is N[C@H]1CCN(C(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone?
The InChIKey is PXKYMFIYKCENBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-2-1-7(5-13-9)10(15)14-4-3-8(12)6-14/h1-2,5,8H,3-4,6,12H2/t8-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone has a molecular weight of 225.68 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 129415328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).