[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H19Cl2N3O2 — CID 71989099

IUPAC[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1Cc1cc(Cl)nc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H19Cl2N3O2/c16-13-8-11(9-14(17)18-13)10-20-3-1-2-12(20)15(21)19-4-6-22-7-5-19/h8-9,12H,1-7,10H2
InChIKeyITKOCUMAAWPWLF-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.21
Rot. Bonds3

About [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 71989099) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID71989099
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1Cc1cc(Cl)nc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H19Cl2N3O2/c16-13-8-11(9-14(17)18-13)10-20-3-1-2-12(20)15(21)19-4-6-22-7-5-19/h8-9,12H,1-7,10H2
InChIKeyITKOCUMAAWPWLF-UHFFFAOYSA-N
XLogP2.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
[(2R)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 96540784
[(2S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 91832975
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
N-[(3-chlorophenyl)methyl]-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 91833492
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 71989099) is [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1Cc1cc(Cl)nc(Cl)c1)N1CCOCC1.
What is the InChIKey of [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ITKOCUMAAWPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-13-8-11(9-14(17)18-13)10-20-3-1-2-12(20)15(21)19-4-6-22-7-5-19/h8-9,12H,1-7,10H2.
What are the key properties of [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 344.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71989099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).