(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide

C20H27N5O2 — CID 129478495

About (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide

(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 129478495) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
• PubChem CID: 129478495
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
• SMILES: O=C(NCCn1cccc1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C20H27N5O2/c26-20(22-9-15-23-10-1-2-11-23)25-14-7-17(16-25)27-18-6-5-8-21-19(18)24-12-3-4-13-24/h1-2,5-6,8,10-11,17H,3-4,7,9,12-16H2,(H,22,26)/t17-/m0/s1
• InChIKey: DXJRKLZRNGFAKV-KRWDZBQOSA-N
• XLogP: 2.35
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide (CID 129478495) is (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide.

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

The canonical SMILES for (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide is O=C(NCCn1cccc1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

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

The InChIKey is DXJRKLZRNGFAKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(22-9-15-23-10-1-2-11-23)25-14-7-17(16-25)27-18-6-5-8-21-19(18)24-12-3-4-13-24/h1-2,5-6,8,10-11,17H,3-4,7,9,12-16H2,(H,22,26)/t17-/m0/s1.

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

(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129478495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).