4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide

C13H17N3O3 — CID 63715680

IUPAC4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-9-6-14-8-12(9)13(17)15-7-10-3-2-4-11(5-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17)
InChIKeyILGCZAMTPXZVMC-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.07
Rot. Bonds4

About 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide

4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63715680) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID63715680
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c1-9-6-14-8-12(9)13(17)15-7-10-3-2-4-11(5-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17)
InChIKeyILGCZAMTPXZVMC-UHFFFAOYSA-N
XLogP1.07
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.07
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 4-methyl-N-[(3-nitrophenyl)methyl]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

2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 64824627
N-[(3-nitrophenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892967
N-(2-methoxy-5-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714092
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
4-(aminomethyl)-N-[(3-nitrophenyl)methyl]cyclohexane-1-carboxamide
CID 79519883
ethyl 2-[(3-nitrophenyl)methylamino]-2-oxoacetate
CID 10658438
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
4-[[(3-nitrophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963132

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide (CID 63715680) is 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ILGCZAMTPXZVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-14-8-12(9)13(17)15-7-10-3-2-4-11(5-10)16(18)19/h2-5,9,12,14H,6-8H2,1H3,(H,15,17).
What are the key properties of 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide?
4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63715680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).