N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide

C16H19N3O — CID 114610369

IUPACN-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESNCc1ccccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C16H19N3O/c17-11-12-5-1-2-8-14(12)18-16(20)15-9-4-10-19(15)13-6-3-7-13/h1-2,4-5,8-10,13H,3,6-7,11,17H2,(H,18,20)
InChIKeyFRQZMDPLEAZGFI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide

N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114610369) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114610369
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
SMILESNCc1ccccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C16H19N3O/c17-11-12-5-1-2-8-14(12)18-16(20)15-9-4-10-19(15)13-6-3-7-13/h1-2,4-5,8-10,13H,3,6-7,11,17H2,(H,18,20)
InChIKeyFRQZMDPLEAZGFI-UHFFFAOYSA-N
XLogP2.92
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide (CID 114610369) is N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide is NCc1ccccc1NC(=O)c1cccn1C1CCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is FRQZMDPLEAZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-12-5-1-2-8-14(12)18-16(20)15-9-4-10-19(15)13-6-3-7-13/h1-2,4-5,8-10,13H,3,6-7,11,17H2,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide?
N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114610369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).