(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

C18H23N3O — CID 134699277

IUPAC(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1ccc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)nc1
InChIInChI=1S/C18H23N3O/c1-2-14-6-7-17(20-10-14)12-21-11-15(18(22)13-21)9-16-5-3-4-8-19-16/h3-8,10,15,18,22H,2,9,11-13H2,1H3/t15-,18-/m1/s1
InChIKeyRJEUQMFNUJUKIE-CRAIPNDOSA-N
MW297.40 g/mol
LogP2.07
Rot. Bonds5

About (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 134699277) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID134699277
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1ccc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)nc1
InChIInChI=1S/C18H23N3O/c1-2-14-6-7-17(20-10-14)12-21-11-15(18(22)13-21)9-16-5-3-4-8-19-16/h3-8,10,15,18,22H,2,9,11-13H2,1H3/t15-,18-/m1/s1
InChIKeyRJEUQMFNUJUKIE-CRAIPNDOSA-N
XLogP2.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
CID 131891791
(3S,4R)-4-(pyridin-2-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134714421
(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699950
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133119338
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 155501524
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
CID 77086588
(3S,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134706285
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (CID 134699277) is (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is CCc1ccc(CN2C[C@@H](Cc3ccccn3)[C@H](O)C2)nc1.
What is the InChIKey of (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is RJEUQMFNUJUKIE-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-14-6-7-17(20-10-14)12-21-11-15(18(22)13-21)9-16-5-3-4-8-19-16/h3-8,10,15,18,22H,2,9,11-13H2,1H3/t15-,18-/m1/s1.
What are the key properties of (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134699277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).