(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C14H17Cl2N3O2 — CID 106993823

IUPAC(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)17-12)14(20)19-4-3-10(9-19)18-5-7-21-8-6-18/h1-2,10H,3-9H2
InChIKeyIOFYKUDVNBRCID-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.94
Rot. Bonds2

About (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 106993823) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID106993823
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1Cl)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)17-12)14(20)19-4-3-10(9-19)18-5-7-21-8-6-18/h1-2,10H,3-9H2
InChIKeyIOFYKUDVNBRCID-UHFFFAOYSA-N
XLogP1.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.94
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

(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(2-hydroxy-3-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63527838
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 136512721
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 106993823) is (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)nc1Cl)N1CCC(N2CCOCC2)C1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is IOFYKUDVNBRCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-12-2-1-11(13(16)17-12)14(20)19-4-3-10(9-19)18-5-7-21-8-6-18/h1-2,10H,3-9H2.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 330.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106993823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).