6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one

C15H17N3O — CID 171674206

IUPAC6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CN2CCCC2c2cccnc2)[nH]1
InChIInChI=1S/C15H17N3O/c19-15-7-1-5-13(17-15)11-18-9-3-6-14(18)12-4-2-8-16-10-12/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,17,19)
InChIKeyVGIWBKXUNGIQHU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.11
Rot. Bonds3

About 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one

6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 171674206) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID171674206
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cccc(CN2CCCC2c2cccnc2)[nH]1
InChIInChI=1S/C15H17N3O/c19-15-7-1-5-13(17-15)11-18-9-3-6-14(18)12-4-2-8-16-10-12/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,17,19)
InChIKeyVGIWBKXUNGIQHU-UHFFFAOYSA-N
XLogP2.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-[1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 154891173
4-oxo-2-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1H-quinoline-6-carboxamide
CID 97153225
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one (CID 171674206) is 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one is O=c1cccc(CN2CCCC2c2cccnc2)[nH]1.
What is the InChIKey of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is VGIWBKXUNGIQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-7-1-5-13(17-15)11-18-9-3-6-14(18)12-4-2-8-16-10-12/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,17,19).
What are the key properties of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one?
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 171674206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).