N-(4-aminophenyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 22034800

IUPACN-(4-aminophenyl)pyrrolidine-2-carboxamide
SMILESNc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7,12H2,(H,14,15)
InChIKeyCBLMGOGXQSMXDI-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.96
Rot. Bonds2

About N-(4-aminophenyl)pyrrolidine-2-carboxamide

N-(4-aminophenyl)pyrrolidine-2-carboxamide (PubChem CID 22034800) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(4-aminophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)pyrrolidine-2-carboxamide
PubChem CID22034800
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(4-aminophenyl)pyrrolidine-2-carboxamide
SMILESNc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7,12H2,(H,14,15)
InChIKeyCBLMGOGXQSMXDI-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)pyrrolidine-2-carboxamide (CID 22034800) is N-(4-aminophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)pyrrolidine-2-carboxamide is Nc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-(4-aminophenyl)pyrrolidine-2-carboxamide?
The InChIKey is CBLMGOGXQSMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-3-5-9(6-4-8)14-11(15)10-2-1-7-13-10/h3-6,10,13H,1-2,7,12H2,(H,14,15).
What are the key properties of N-(4-aminophenyl)pyrrolidine-2-carboxamide?
N-(4-aminophenyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22034800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).