N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide

C11H16BrN3O — CID 63887592

IUPACN-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cc(Br)c[nH]2)CCCC1
InChIInChI=1S/C11H16BrN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16)
InChIKeyPLCDJOODMJXEJP-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide

N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide (PubChem CID 63887592) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
PubChem CID63887592
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
SMILESNCC1(NC(=O)c2cc(Br)c[nH]2)CCCC1
InChIInChI=1S/C11H16BrN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16)
InChIKeyPLCDJOODMJXEJP-UHFFFAOYSA-N
XLogP1.78
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671811
N-[1-(aminomethyl)cyclopentyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 63888390
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294681
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
CID 63888380
4-bromo-N-(3-methyloxolan-3-yl)-1H-pyrrole-2-carboxamide
CID 115769201
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 114751196
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide (CID 63887592) is N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide is NCC1(NC(=O)c2cc(Br)c[nH]2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide?
The InChIKey is PLCDJOODMJXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-8-5-9(14-6-8)10(16)15-11(7-13)3-1-2-4-11/h5-6,14H,1-4,7,13H2,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63887592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).