[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone

C18H25N3O — CID 95290618

IUPAC[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C18H25N3O/c1-20-9-3-6-16(20)17-7-4-10-21(17)18(22)15-11-14(15)13-5-2-8-19-12-13/h2,5,8,12,14-17H,3-4,6-7,9-11H2,1H3/t14-,15-,16-,17+/m1/s1
InChIKeyFEESKGGZFVWLRY-VQHPVUNQSA-N
MW299.42 g/mol
LogP2.27
Rot. Bonds3

About [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone

[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 95290618) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID95290618
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1
InChIInChI=1S/C18H25N3O/c1-20-9-3-6-16(20)17-7-4-10-21(17)18(22)15-11-14(15)13-5-2-8-19-12-13/h2,5,8,12,14-17H,3-4,6-7,9-11H2,1H3/t14-,15-,16-,17+/m1/s1
InChIKeyFEESKGGZFVWLRY-VQHPVUNQSA-N
XLogP2.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427750
(4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl)-[(1R,2R)-2-naphthalen-2-ylcyclopropyl]methanone
CID 167953061
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 95349545
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477
[(2S,3S)-2-methyl-3-phenylthiomorpholin-4-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 124835278
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 129490413
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129448702
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone (CID 95290618) is [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone is CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1.
What is the InChIKey of [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is FEESKGGZFVWLRY-VQHPVUNQSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20-9-3-6-16(20)17-7-4-10-21(17)18(22)15-11-14(15)13-5-2-8-19-12-13/h2,5,8,12,14-17H,3-4,6-7,9-11H2,1H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone?
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 299.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 95290618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).