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

C20H29N5O — CID 125025402

IUPAC1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccnc(CN(C)C)c1
InChIInChI=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
InChIKeyZMJYHXUGVABNQC-GOSISDBHSA-N
MW355.49 g/mol
LogP2.66
Rot. Bonds7

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 Name1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID125025402
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccnc(CN(C)C)c1
InChIInChI=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
InChIKeyZMJYHXUGVABNQC-GOSISDBHSA-N
XLogP2.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).