(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C11H15N3O2 — CID 86820400

IUPAC(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1
InChIInChI=1S/C11H15N3O2/c1-12-11(15)10-5-9(7-14-10)16-8-3-2-4-13-6-8/h2-4,6,9-10,14H,5,7H2,1H3,(H,12,15)/t9-,10-/m0/s1
InChIKeyLAJPZYJUTFFALJ-UWVGGRQHSA-N
MW221.26 g/mol
LogP-0.06
Rot. Bonds3

About (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 86820400) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID86820400
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1
InChIInChI=1S/C11H15N3O2/c1-12-11(15)10-5-9(7-14-10)16-8-3-2-4-13-6-8/h2-4,6,9-10,14H,5,7H2,1H3,(H,12,15)/t9-,10-/m0/s1
InChIKeyLAJPZYJUTFFALJ-UWVGGRQHSA-N
XLogP-0.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 178052
A-85380
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CID 1962
3-((S)-Azetidin-2-yloxy)-pyridine
CID 10702168
(R)-3-(Pyrrolidin-2-ylmethoxy)pyridine
CID 10702468
6-methoxy-3-(2-(R)-azetidinylmethoxy)pyridine
CID 21345252
Nifene
CID 71454298
(R)-2-Methyl-3-(2-pyrrolidinylmethoxy)pyridine
CID 127922
(2R)-1-[(6-fluoro-3-pyridinyl)oxy]propan-2-amine
CID 9920483
(2R)-1-[(6-fluoro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9920561
(2S)-1-[(6-fluoro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9920562

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 86820400) is (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1.
What is the InChIKey of (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is LAJPZYJUTFFALJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-12-11(15)10-5-9(7-14-10)16-8-3-2-4-13-6-8/h2-4,6,9-10,14H,5,7H2,1H3,(H,12,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-methyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 86820400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).