[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone

C17H19N3O2 — CID 110203285

IUPAC[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)ccn1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(5-7-18-12)17(22)20-9-14(11-21)15(10-20)16-4-2-3-6-19-16/h2-8,14-15,21H,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyFEINEWFMRVEHPK-LSDHHAIUSA-N
MW297.36 g/mol
LogP1.63
Rot. Bonds3

About [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone

[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 110203285) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID110203285
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)ccn1
InChIInChI=1S/C17H19N3O2/c1-12-8-13(5-7-18-12)17(22)20-9-14(11-21)15(10-20)16-4-2-3-6-19-16/h2-8,14-15,21H,9-11H2,1H3/t14-,15+/m0/s1
InChIKeyFEINEWFMRVEHPK-LSDHHAIUSA-N
XLogP1.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone (CID 110203285) is [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2C[C@@H](CO)[C@H](c3ccccn3)C2)ccn1.
What is the InChIKey of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is FEINEWFMRVEHPK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-8-13(5-7-18-12)17(22)20-9-14(11-21)15(10-20)16-4-2-3-6-19-16/h2-8,14-15,21H,9-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone?
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 110203285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).