(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C15H15N3O3S — CID 110199059

IUPAC(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1
InChIInChI=1S/C15H15N3O3S/c16-14(19)12-7-11(21-10-3-1-5-17-8-10)9-18(12)15(20)13-4-2-6-22-13/h1-6,8,11-12H,7,9H2,(H2,16,19)/t11-,12-/m0/s1
InChIKeyRSFIZZITYVNVJM-RYUDHWBXSA-N
MW317.37 g/mol
LogP1.29
Rot. Bonds4

About (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 110199059) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID110199059
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1
InChIInChI=1S/C15H15N3O3S/c16-14(19)12-7-11(21-10-3-1-5-17-8-10)9-18(12)15(20)13-4-2-6-22-13/h1-6,8,11-12H,7,9H2,(H2,16,19)/t11-,12-/m0/s1
InChIKeyRSFIZZITYVNVJM-RYUDHWBXSA-N
XLogP1.29
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 110199059) is (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1.
What is the InChIKey of (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RSFIZZITYVNVJM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H15N3O3S/c16-14(19)12-7-11(21-10-3-1-5-17-8-10)9-18(12)15(20)13-4-2-6-22-13/h1-6,8,11-12H,7,9H2,(H2,16,19)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110199059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).