N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide

C12H15N3O4 — CID 63007363

IUPACN-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15N3O4/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,16)
InChIKeyLFAIIXZVBPYBSF-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide

N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide (PubChem CID 63007363) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
PubChem CID63007363
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15N3O4/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,16)
InChIKeyLFAIIXZVBPYBSF-UHFFFAOYSA-N
XLogP1.15
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.15
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-(2-methoxy-4-nitrophenyl)pyrrolidine-3-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

N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108513058
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
2-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(2-methoxy-4-nitrophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 19583470
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide (CID 63007363) is N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCNC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide?
The InChIKey is LFAIIXZVBPYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-11-6-9(15(17)18)2-3-10(11)14-12(16)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide?
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).