4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide

C13H17N3O5 — CID 61214015

IUPAC4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H17N3O5/c1-20-9-6-11(14-7-9)13(17)15-10-5-8(16(18)19)3-4-12(10)21-2/h3-5,9,11,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyHWYYPQCNAQULQP-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.92
Rot. Bonds5

About 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide

4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide (PubChem CID 61214015) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
PubChem CID61214015
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H17N3O5/c1-20-9-6-11(14-7-9)13(17)15-10-5-8(16(18)19)3-4-12(10)21-2/h3-5,9,11,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyHWYYPQCNAQULQP-UHFFFAOYSA-N
XLogP0.92
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
N-(2-methoxy-5-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714092
(1R,2S,3R,4S)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869900
(1R,2S,3S,4R)-3-[(2-methoxy-5-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18389197
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769
2-amino-N-(2-methoxy-5-nitrophenyl)cyclohexane-1-carboxamide
CID 64822909
(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 1121382
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
(3R)-N-(2-methoxy-5-nitrophenyl)-1-methylpiperidine-3-carboxamide
CID 99970147

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide (CID 61214015) is 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(OC)CN1.
What is the InChIKey of 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide?
The InChIKey is HWYYPQCNAQULQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-9-6-11(14-7-9)13(17)15-10-5-8(16(18)19)3-4-12(10)21-2/h3-5,9,11,14H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).