1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea

C15H23N5O3 — CID 129475491

About 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea

1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea (PubChem CID 129475491) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea.

Molecular Properties

• Compound Name: 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
• PubChem CID: 129475491
• Molecular Formula: C15H23N5O3
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.18
• IUPAC Name: 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
• SMILES: CNC(=O)NCC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1
• InChI: InChI=1S/C15H23N5O3/c1-16-15(22)18-9-13(21)20-8-6-11(10-20)23-12-5-4-7-17-14(12)19(2)3/h4-5,7,11H,6,8-10H2,1-3H3,(H2,16,18,22)/t11-/m1/s1
• InChIKey: NXMKDODAMNOPSW-LLVKDONJSA-N
• XLogP: 0.06
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?

The IUPAC name of 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea (CID 129475491) is 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea.

What is the SMILES notation for 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?

The canonical SMILES for 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea is CNC(=O)NCC(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1.

What is the InChIKey of 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?

The InChIKey is NXMKDODAMNOPSW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-16-15(22)18-9-13(21)20-8-6-11(10-20)23-12-5-4-7-17-14(12)19(2)3/h4-5,7,11H,6,8-10H2,1-3H3,(H2,16,18,22)/t11-/m1/s1.

What are the key properties of 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?

1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea has a molecular weight of 321.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea is sourced from PubChem (CID 129475491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).