[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C18H25N3O2 — CID 129333977

IUPAC[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1
InChIInChI=1S/C18H25N3O2/c1-20(2)17-16(4-3-8-19-17)23-13-7-9-21(11-13)18(22)15-10-14(15)12-5-6-12/h3-4,8,12-15H,5-7,9-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyNADWXBIRXYJYOF-QLFBSQMISA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds5

About [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone

[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 129333977) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID129333977
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESCN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1
InChIInChI=1S/C18H25N3O2/c1-20(2)17-16(4-3-8-19-17)23-13-7-9-21(11-13)18(22)15-10-14(15)12-5-6-12/h3-4,8,12-15H,5-7,9-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyNADWXBIRXYJYOF-QLFBSQMISA-N
XLogP2.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088
1-[3-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 128965218
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335916
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335915
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-methyltriazol-4-yl)pyrrolidine-1-carboxamide
CID 100766883
2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 128967651
1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 129475491
3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128993059

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 129333977) is [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1.
What is the InChIKey of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is NADWXBIRXYJYOF-QLFBSQMISA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(2)17-16(4-3-8-19-17)23-13-7-9-21(11-13)18(22)15-10-14(15)12-5-6-12/h3-4,8,12-15H,5-7,9-11H2,1-2H3/t13-,14+,15-/m1/s1.
What are the key properties of [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129333977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).