N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide

C15H17N3O — CID 114610041

IUPACN-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H17N3O/c16-12-7-1-2-8-13(12)17-15(19)14-9-4-10-18(14)11-5-3-6-11/h1-2,4,7-11H,3,5-6,16H2,(H,17,19)
InChIKeyRPCWRHAFTGVIKM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds3

About N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide

N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114610041) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114610041
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H17N3O/c16-12-7-1-2-8-13(12)17-15(19)14-9-4-10-18(14)11-5-3-6-11/h1-2,4,7-11H,3,5-6,16H2,(H,17,19)
InChIKeyRPCWRHAFTGVIKM-UHFFFAOYSA-N
XLogP3.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610515

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide (CID 114610041) is N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide is Nc1ccccc1NC(=O)c1cccn1C1CCC1.
What is the InChIKey of N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is RPCWRHAFTGVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-7-1-2-8-13(12)17-15(19)14-9-4-10-18(14)11-5-3-6-11/h1-2,4,7-11H,3,5-6,16H2,(H,17,19).
What are the key properties of N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide?
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114610041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).