N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C16H24BrN3O — CID 115309213

IUPACN-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNCC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1
InChIInChI=1S/C16H24BrN3O/c17-12-8-15(20(10-12)13-6-7-13)16(21)19-14(9-18)11-4-2-1-3-5-11/h8,10-11,13-14H,1-7,9,18H2,(H,19,21)
InChIKeySKSOBFORPSVOSM-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.22
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 115309213) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID115309213
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESNCC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1
InChIInChI=1S/C16H24BrN3O/c17-12-8-15(20(10-12)13-6-7-13)16(21)19-14(9-18)11-4-2-1-3-5-11/h8,10-11,13-14H,1-7,9,18H2,(H,19,21)
InChIKeySKSOBFORPSVOSM-UHFFFAOYSA-N
XLogP3.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119614922
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63524955
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
3-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640405
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 113282136
4-acetyl-N-(2-amino-1-cyclohexylethyl)-1-methylpyrrole-2-carboxamide
CID 119589885
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243692

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 115309213) is N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is NCC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is SKSOBFORPSVOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c17-12-8-15(20(10-12)13-6-7-13)16(21)19-14(9-18)11-4-2-1-3-5-11/h8,10-11,13-14H,1-7,9,18H2,(H,19,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 115309213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).