2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine

C19H23N3O — CID 97391990

IUPAC2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine
SMILESc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)nc1
InChIInChI=1S/C19H23N3O/c1-2-10-21-19(5-1)22-11-8-18(23-14-15-6-7-15)17(22)12-16-4-3-9-20-13-16/h1-5,9-10,13,15,17-18H,6-8,11-12,14H2/t17-,18-/m0/s1
InChIKeyYXBSMRVXTMDLAG-ROUUACIJSA-N
MW309.41 g/mol
LogP3.09
Rot. Bonds6

About 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine

2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine (PubChem CID 97391990) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine
PubChem CID97391990
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine
SMILESc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)nc1
InChIInChI=1S/C19H23N3O/c1-2-10-21-19(5-1)22-11-8-18(23-14-15-6-7-15)17(22)12-16-4-3-9-20-13-16/h1-5,9-10,13,15,17-18H,6-8,11-12,14H2/t17-,18-/m0/s1
InChIKeyYXBSMRVXTMDLAG-ROUUACIJSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine (CID 97391990) is 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine is c1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)nc1.
What is the InChIKey of 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is YXBSMRVXTMDLAG-ROUUACIJSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-10-21-19(5-1)22-11-8-18(23-14-15-6-7-15)17(22)12-16-4-3-9-20-13-16/h1-5,9-10,13,15,17-18H,6-8,11-12,14H2/t17-,18-/m0/s1.
What are the key properties of 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine?
2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 309.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 97391990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).