[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C12H16ClN3O2 — CID 111561849

IUPAC[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CC[C@@H](O)C2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-15(2)11-6-8(5-10(13)14-11)12(18)16-4-3-9(17)7-16/h5-6,9,17H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyXXLVAGFHXLRTQX-SECBINFHSA-N
MW269.73 g/mol
LogP1.01
Rot. Bonds2

About [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561849) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561849
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)c1cc(C(=O)N2CC[C@@H](O)C2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-15(2)11-6-8(5-10(13)14-11)12(18)16-4-3-9(17)7-16/h5-6,9,17H,3-4,7H2,1-2H3/t9-/m1/s1
InChIKeyXXLVAGFHXLRTQX-SECBINFHSA-N
XLogP1.01
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947532

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561849) is [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CN(C)c1cc(C(=O)N2CC[C@@H](O)C2)cc(Cl)n1.
What is the InChIKey of [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is XXLVAGFHXLRTQX-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15(2)11-6-8(5-10(13)14-11)12(18)16-4-3-9(17)7-16/h5-6,9,17H,3-4,7H2,1-2H3/t9-/m1/s1.
What are the key properties of [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 269.73 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).