[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

C19H23N3O — CID 166618457

IUPAC[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Cc3cccnc3)C2)c1
InChIInChI=1S/C19H23N3O/c1-21(2)18-7-3-6-17(12-18)19(23)22-10-8-16(14-22)11-15-5-4-9-20-13-15/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3
InChIKeyNMEDWIHURZYTHH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds4

About [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 166618457) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID166618457
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(Cc3cccnc3)C2)c1
InChIInChI=1S/C19H23N3O/c1-21(2)18-7-3-6-17(12-18)19(23)22-10-8-16(14-22)11-15-5-4-9-20-13-15/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3
InChIKeyNMEDWIHURZYTHH-UHFFFAOYSA-N
XLogP2.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dimethylamino)phenyl]-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619219
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
[4-(4-methoxyphenoxy)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166623335
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178515
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 166618457) is [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(Cc3cccnc3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NMEDWIHURZYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)18-7-3-6-17(12-18)19(23)22-10-8-16(14-22)11-15-5-4-9-20-13-15/h3-7,9,12-13,16H,8,10-11,14H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).