(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C15H19Cl2N3O — CID 61051195

IUPAC(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H19Cl2N3O/c16-12-5-6-13(17)18-14(12)15(21)20-9-3-4-11(10-20)19-7-1-2-8-19/h5-6,11H,1-4,7-10H2
InChIKeyRNEUIGVSWPOLOI-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.09
Rot. Bonds2

About (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 61051195) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID61051195
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H19Cl2N3O/c16-12-5-6-13(17)18-14(12)15(21)20-9-3-4-11(10-20)19-7-1-2-8-19/h5-6,11H,1-4,7-10H2
InChIKeyRNEUIGVSWPOLOI-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone 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

(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
CID 79946116
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
(4-amino-1,2,5-oxadiazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 62687633
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-chloro-4-iodophenyl)methanone
CID 103736039
(3,6-dichloro-2-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633965

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 61051195) is (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1nc(Cl)ccc1Cl)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is RNEUIGVSWPOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-12-5-6-13(17)18-14(12)15(21)20-9-3-4-11(10-20)19-7-1-2-8-19/h5-6,11H,1-4,7-10H2.
What are the key properties of (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 328.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61051195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).