N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide

C11H14N4O3 — CID 66185142

IUPACN-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C11H14N4O3/c16-11(13-7-4-12-5-7)10-3-9(15(17)18)6-14(10)8-1-2-8/h3,6-8,12H,1-2,4-5H2,(H,13,16)
InChIKeyHDKWMRFXORNUQD-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.43
Rot. Bonds4

About N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide

N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide (PubChem CID 66185142) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
PubChem CID66185142
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide
SMILESO=C(NC1CNC1)c1cc([N+](=O)[O-])cn1C1CC1
InChIInChI=1S/C11H14N4O3/c16-11(13-7-4-12-5-7)10-3-9(15(17)18)6-14(10)8-1-2-8/h3,6-8,12H,1-2,4-5H2,(H,13,16)
InChIKeyHDKWMRFXORNUQD-UHFFFAOYSA-N
XLogP0.43
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-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

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide (CID 66185142) is N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide is O=C(NC1CNC1)c1cc([N+](=O)[O-])cn1C1CC1.
What is the InChIKey of N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide?
The InChIKey is HDKWMRFXORNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-11(13-7-4-12-5-7)10-3-9(15(17)18)6-14(10)8-1-2-8/h3,6-8,12H,1-2,4-5H2,(H,13,16).
What are the key properties of N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide?
N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-cyclopropyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 66185142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).