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

C19H23N3O2 — CID 97470233

IUPAC[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C19H23N3O2/c23-19(16-4-2-9-21-16)22-10-7-18(24-13-14-5-6-14)17(22)11-15-3-1-8-20-12-15/h1-4,8-9,12,14,17-18,21H,5-7,10-11,13H2/t17-,18+/m0/s1
InChIKeyDENQBXJEFXXOOX-ZWKOTPCHSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds6

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

[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97470233) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97470233
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C19H23N3O2/c23-19(16-4-2-9-21-16)22-10-7-18(24-13-14-5-6-14)17(22)11-15-3-1-8-20-12-15/h1-4,8-9,12,14,17-18,21H,5-7,10-11,13H2/t17-,18+/m0/s1
InChIKeyDENQBXJEFXXOOX-ZWKOTPCHSA-N
XLogP2.66
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 97470233) is [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1cccnc1.
What is the InChIKey of [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is DENQBXJEFXXOOX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(16-4-2-9-21-16)22-10-7-18(24-13-14-5-6-14)17(22)11-15-3-1-8-20-12-15/h1-4,8-9,12,14,17-18,21H,5-7,10-11,13H2/t17-,18+/m0/s1.
What are the key properties of [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97470233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).