[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

C18H22N4O2 — CID 129476098

IUPAC[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C18H22N4O2/c23-18(14-5-8-19-12-14)22-11-6-15(13-22)24-16-4-3-7-20-17(16)21-9-1-2-10-21/h3-5,7-8,12,15,19H,1-2,6,9-11,13H2/t15-/m0/s1
InChIKeySFWJJENNOKEPDY-HNNXBMFYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds4

About [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 129476098) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID129476098
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
InChIInChI=1S/C18H22N4O2/c23-18(14-5-8-19-12-14)22-11-6-15(13-22)24-16-4-3-7-20-17(16)21-9-1-2-10-21/h3-5,7-8,12,15,19H,1-2,6,9-11,13H2/t15-/m0/s1
InChIKeySFWJJENNOKEPDY-HNNXBMFYSA-N
XLogP2.30
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone with MolForge

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Related Compounds

(2-methyl-1H-pyrrol-3-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129475695
4-methyl-3-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129332487
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
(3-aminopyrazin-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129475897
[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129338665
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129338666
(1-cyclopropylpyrrol-2-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329582
(5-methylthiophen-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473831
(5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129332964
2-ethylsulfonyl-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129476531
(3R)-N-(1-methylpiperidin-4-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129472588

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 129476098) is [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.
What is the InChIKey of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is SFWJJENNOKEPDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(14-5-8-19-12-14)22-11-6-15(13-22)24-16-4-3-7-20-17(16)21-9-1-2-10-21/h3-5,7-8,12,15,19H,1-2,6,9-11,13H2/t15-/m0/s1.
What are the key properties of [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129476098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).