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

C13H17N3O2 — CID 86820403

IUPAC(2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1
InChIInChI=1S/C13H17N3O2/c17-13(16-9-3-4-9)12-6-11(8-15-12)18-10-2-1-5-14-7-10/h1-2,5,7,9,11-12,15H,3-4,6,8H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyBWTLLRNNUZKBOG-RYUDHWBXSA-N
MW247.30 g/mol
LogP0.47
Rot. Bonds4

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

(2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 86820403) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID86820403
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1
InChIInChI=1S/C13H17N3O2/c17-13(16-9-3-4-9)12-6-11(8-15-12)18-10-2-1-5-14-7-10/h1-2,5,7,9,11-12,15H,3-4,6,8H2,(H,16,17)/t11-,12-/m0/s1
InChIKeyBWTLLRNNUZKBOG-RYUDHWBXSA-N
XLogP0.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 86820403) is (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is BWTLLRNNUZKBOG-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(16-9-3-4-9)12-6-11(8-15-12)18-10-2-1-5-14-7-10/h1-2,5,7,9,11-12,15H,3-4,6,8H2,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 86820403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).