2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

C12H19N3O — CID 64617370

IUPAC2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CNC2)n1C
InChIInChI=1S/C12H19N3O/c1-9-3-4-11(15(9)2)8-14-12(16)5-10-6-13-7-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyDZZYOTAPPVEFQR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide

2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (PubChem CID 64617370) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
PubChem CID64617370
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CNC2)n1C
InChIInChI=1S/C12H19N3O/c1-9-3-4-11(15(9)2)8-14-12(16)5-10-6-13-7-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyDZZYOTAPPVEFQR-UHFFFAOYSA-N
XLogP0.56
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
CID 43620669
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890750
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylpentanamide
CID 54928247
2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 31217635
2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81318427
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide (CID 64617370) is 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CNC2)n1C.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
The InChIKey is DZZYOTAPPVEFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-4-11(15(9)2)8-14-12(16)5-10-6-13-7-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 64617370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).