2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide

C12H19N3O — CID 106416766

IUPAC2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cccn1C)C1CNC1
InChIInChI=1S/C12H19N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h3-5,9-10,13H,6-8H2,1-2H3,(H,14,16)
InChIKeyXYPQLPYLNHXHBT-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.50
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide (PubChem CID 106416766) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
PubChem CID106416766
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cccn1C)C1CNC1
InChIInChI=1S/C12H19N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h3-5,9-10,13H,6-8H2,1-2H3,(H,14,16)
InChIKeyXYPQLPYLNHXHBT-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 116676800
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
4-[[2-(azetidin-3-yl)propanoylamino]methyl]benzoic acid
CID 116676938
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
N,3-dimethyl-2-[(1-methylpyrrol-2-yl)methylamino]butanamide
CID 115747414
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
N-[(1-methylpyrrol-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71924347
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide (CID 106416766) is 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide is CC(C(=O)NCc1cccn1C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The InChIKey is XYPQLPYLNHXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(10-6-13-7-10)12(16)14-8-11-4-3-5-15(11)2/h3-5,9-10,13H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.50, 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-methylpyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 106416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).