2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide

C13H17N3O3 — CID 79388584

IUPAC2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCNC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-11(4-3-5-12(8)16(18)19)15-13(17)10-6-7-14-9(10)2/h3-5,9-10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyDZTHWNKCZFTCBV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide

2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide (PubChem CID 79388584) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
PubChem CID79388584
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCNC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c1-8-11(4-3-5-12(8)16(18)19)15-13(17)10-6-7-14-9(10)2/h3-5,9-10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyDZTHWNKCZFTCBV-UHFFFAOYSA-N
XLogP1.84
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methyl-3-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-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
cis-(1R,2S)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 675791
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
(2R,5S)-5-[(2-methyl-3-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944510
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide (CID 79388584) is 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide is Cc1c(NC(=O)C2CCNC2C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide?
The InChIKey is DZTHWNKCZFTCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-11(4-3-5-12(8)16(18)19)15-13(17)10-6-7-14-9(10)2/h3-5,9-10,14H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide?
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).