N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

C11H16ClN3O — CID 66188396

IUPACN-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NC1CNC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-6-8(12)3-10(15)11(16)14-9-4-13-5-9/h3,6-7,9,13H,4-5H2,1-2H3,(H,14,16)
InChIKeyXCXDVTRFQUGVJN-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.42
Rot. Bonds3

About N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 66188396) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID66188396
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NC1CNC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)15-6-8(12)3-10(15)11(16)14-9-4-13-5-9/h3,6-7,9,13H,4-5H2,1-2H3,(H,14,16)
InChIKeyXCXDVTRFQUGVJN-UHFFFAOYSA-N
XLogP1.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide 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

4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 94414860
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
N-(2-aminocyclopentyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 63251778
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 43640186
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032
4-chloro-N-(4-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 106120396
4-nitro-1-propan-2-yl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62378968
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148
4-chloro-N-pent-4-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 106223263
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (CID 66188396) is N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XCXDVTRFQUGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)15-6-8(12)3-10(15)11(16)14-9-4-13-5-9/h3,6-7,9,13H,4-5H2,1-2H3,(H,14,16).
What are the key properties of N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 66188396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).