[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C22H27N3O — CID 124952766

IUPAC[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCN(C)Cc1cccc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1
InChIInChI=1S/C22H27N3O/c1-24(2)16-18-10-6-11-19(23-18)20-12-7-15-25(20)21(26)22(13-14-22)17-8-4-3-5-9-17/h3-6,8-11,20H,7,12-16H2,1-2H3/t20-/m0/s1
InChIKeyDQVARZAVGZHXTI-FQEVSTJZSA-N
MW349.48 g/mol
LogP3.54
Rot. Bonds5

About [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 124952766) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID124952766
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCN(C)Cc1cccc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1
InChIInChI=1S/C22H27N3O/c1-24(2)16-18-10-6-11-19(23-18)20-12-7-15-25(20)21(26)22(13-14-22)17-8-4-3-5-9-17/h3-6,8-11,20H,7,12-16H2,1-2H3/t20-/m0/s1
InChIKeyDQVARZAVGZHXTI-FQEVSTJZSA-N
XLogP3.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124998428
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110107736
(E)-1-[2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110107615
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110104394
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[2-(bromomethyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 80678065
[(2S)-2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 124959023
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63395719
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 124952766) is [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is CN(C)Cc1cccc([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1.
What is the InChIKey of [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is DQVARZAVGZHXTI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(2)16-18-10-6-11-19(23-18)20-12-7-15-25(20)21(26)22(13-14-22)17-8-4-3-5-9-17/h3-6,8-11,20H,7,12-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 349.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 124952766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).