[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

C15H17N3O2 — CID 131685105

IUPAC[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H17N3O2/c19-14-4-7-18(15(20)12-3-6-17-10-12)13(14)8-11-2-1-5-16-9-11/h1-3,5-6,9-10,13-14,17,19H,4,7-8H2/t13-,14-/m0/s1
InChIKeyUIWWDTFMLCZFPK-KBPBESRZSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds3

About [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone

[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 131685105) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID131685105
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H17N3O2/c19-14-4-7-18(15(20)12-3-6-17-10-12)13(14)8-11-2-1-5-16-9-11/h1-3,5-6,9-10,13-14,17,19H,4,7-8H2/t13-,14-/m0/s1
InChIKeyUIWWDTFMLCZFPK-KBPBESRZSA-N
XLogP1.23
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone with MolForge

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Related Compounds

[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131688110
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97470175
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97470521
[(2S,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155843375
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 97470540
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
[(2S,3R)-2-benzyl-3-prop-2-enoxypyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131683149
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
cyclopropyl-[(2S,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97470356
(6-methyl-3-pyridinyl)-[(2S,3R)-3-prop-2-enoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 97391894

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 131685105) is [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1.
What is the InChIKey of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is UIWWDTFMLCZFPK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14-4-7-18(15(20)12-3-6-17-10-12)13(14)8-11-2-1-5-16-9-11/h1-3,5-6,9-10,13-14,17,19H,4,7-8H2/t13-,14-/m0/s1.
What are the key properties of [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 131685105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).