2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide

C13H18N4O2 — CID 134211831

IUPAC2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NNC(=O)C2CCCN2C(N)=O)cc1
InChIInChI=1S/C13H18N4O2/c1-9-4-6-10(7-5-9)15-16-12(18)11-3-2-8-17(11)13(14)19/h4-7,11,15H,2-3,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyXIZLMHKHDFCPSW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide

2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 134211831) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID134211831
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESCc1ccc(NNC(=O)C2CCCN2C(N)=O)cc1
InChIInChI=1S/C13H18N4O2/c1-9-4-6-10(7-5-9)15-16-12(18)11-3-2-8-17(11)13(14)19/h4-7,11,15H,2-3,8H2,1H3,(H2,14,19)(H,16,18)
InChIKeyXIZLMHKHDFCPSW-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134220723
4-[2-[(2S)-1-methoxycarbonylpyrrolidine-2-carbonyl]hydrazinyl]benzoic acid
CID 134210075
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
ethyl 4-[2-[(2S)-1-(methylcarbamoyl)pyrrolidine-2-carbonyl]hydrazinyl]benzoate
CID 134210056
tert-butyl 2-[[4-(4-bromophenyl)anilino]carbamoyl]pyrrolidine-1-carboxylate
CID 151316038
(2S)-2-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]pyrrolidine-1,2-dicarboxamide
CID 9171233
[4-amino-3-[[2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carbonyl]amino]-4-oxobutan-2-yl] acetate
CID 134209963
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
1-[1-[2-aminoprop-2-enyl(2-cyclopentylethyl)amino]ethenyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 142070721
2-[[2-[(4-cyanoanilino)carbamoyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 134209989
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide (CID 134211831) is 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide is Cc1ccc(NNC(=O)C2CCCN2C(N)=O)cc1.
What is the InChIKey of 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is XIZLMHKHDFCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-4-6-10(7-5-9)15-16-12(18)11-3-2-8-17(11)13(14)19/h4-7,11,15H,2-3,8H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134211831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).