(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C14H19Cl2N3O — CID 63165448

IUPAC(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N3O/c1-3-18(4-2)11-5-6-19(9-11)14(20)10-7-12(15)17-13(16)8-10/h7-8,11H,3-6,9H2,1-2H3
InChIKeyCNWZPVKZZQVJAD-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.94
Rot. Bonds4

About (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63165448) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63165448
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N3O/c1-3-18(4-2)11-5-6-19(9-11)14(20)10-7-12(15)17-13(16)8-10/h7-8,11H,3-6,9H2,1-2H3
InChIKeyCNWZPVKZZQVJAD-UHFFFAOYSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175204
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
(2-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63165448) is (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is CNWZPVKZZQVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-3-18(4-2)11-5-6-19(9-11)14(20)10-7-12(15)17-13(16)8-10/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 316.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).