(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone

C17H24ClN3O2 — CID 86849322

IUPAC(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCC1CN(CC2CCCN2C(=O)c2cc(Cl)ccn2)CC(C)O1
InChIInChI=1S/C17H24ClN3O2/c1-12-9-20(10-13(2)23-12)11-15-4-3-7-21(15)17(22)16-8-14(18)5-6-19-16/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3
InChIKeyAUJURWIIZVLJBV-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.45
Rot. Bonds3

About (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone

(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 86849322) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID86849322
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCC1CN(CC2CCCN2C(=O)c2cc(Cl)ccn2)CC(C)O1
InChIInChI=1S/C17H24ClN3O2/c1-12-9-20(10-13(2)23-12)11-15-4-3-7-21(15)17(22)16-8-14(18)5-6-19-16/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3
InChIKeyAUJURWIIZVLJBV-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686
(3,4-difluorophenyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 51094368
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 95351110
(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 94813326
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100849937
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 52511950
(7-chloro-1,3-benzodioxol-5-yl)-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 95348664
[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 95378375

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 86849322) is (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone is CC1CN(CC2CCCN2C(=O)c2cc(Cl)ccn2)CC(C)O1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is AUJURWIIZVLJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-9-20(10-13(2)23-12)11-15-4-3-7-21(15)17(22)16-8-14(18)5-6-19-16/h5-6,8,12-13,15H,3-4,7,9-11H2,1-2H3.
What are the key properties of (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 337.85 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86849322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).