(2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide

C19H27N5O3 — CID 129340674

About (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide

(2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 129340674) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
• PubChem CID: 129340674
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
• SMILES: NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C19H27N5O3/c20-19(26)24-11-4-5-15(24)18(25)23-12-7-14(13-23)27-16-6-3-8-21-17(16)22-9-1-2-10-22/h3,6,8,14-15H,1-2,4-5,7,9-13H2,(H2,20,26)/t14-,15+/m1/s1
• InChIKey: XRLGQYKDEJUBJR-CABCVRRESA-N
• XLogP: 1.20
• TPSA: 92.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide (CID 129340674) is (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide is NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide?

The InChIKey is XRLGQYKDEJUBJR-CABCVRRESA-N. The full InChI is InChI=1S/C19H27N5O3/c20-19(26)24-11-4-5-15(24)18(25)23-12-7-14(13-23)27-16-6-3-8-21-17(16)22-9-1-2-10-22/h3,6,8,14-15H,1-2,4-5,7,9-13H2,(H2,20,26)/t14-,15+/m1/s1.

What are the key properties of (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide?

(2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 129340674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).