1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

C20H29N5O — CID 125025402

About 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 125025402) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
• PubChem CID: 125025402
• Molecular Formula: C20H29N5O
• Molecular Weight: 355.49 g/mol
• Exact Mass: 355.24
• IUPAC Name: 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
• SMILES: CCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccnc(CN(C)C)c1
• InChI: InChI=1S/C20H29N5O/c1-4-19-22-10-13-24(19)12-8-20(26)25-11-5-6-18(25)16-7-9-21-17(14-16)15-23(2)3/h7,9-10,13-14,18H,4-6,8,11-12,15H2,1-3H3/t18-/m1/s1
• InChIKey: ZMJYHXUGVABNQC-GOSISDBHSA-N
• XLogP: 2.66
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.49
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?

The IUPAC name of 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (CID 125025402) is 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?

The canonical SMILES for 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is CCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccnc(CN(C)C)c1.

What is the InChIKey of 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?

The InChIKey is ZMJYHXUGVABNQC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-19-22-10-13-24(19)12-8-20(26)25-11-5-6-18(25)16-7-9-21-17(14-16)15-23(2)3/h7,9-10,13-14,18H,4-6,8,11-12,15H2,1-3H3/t18-/m1/s1.

What are the key properties of 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?

1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 125025402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).