N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C16H24BrN3O — CID 115308417

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H24BrN3O/c1-11-4-2-3-7-16(11,10-18)19-15(21)14-8-12(17)9-20(14)13-5-6-13/h8-9,11,13H,2-7,10,18H2,1H3,(H,19,21)
InChIKeyOYJYNVIASXMTTQ-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 115308417) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID115308417
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H24BrN3O/c1-11-4-2-3-7-16(11,10-18)19-15(21)14-8-12(17)9-20(14)13-5-6-13/h8-9,11,13H,2-7,10,18H2,1H3,(H,19,21)
InChIKeyOYJYNVIASXMTTQ-UHFFFAOYSA-N
XLogP3.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[1-(aminomethyl)-2-methylcyclohexyl]-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

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 63193983
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 115308417) is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide is CC1CCCCC1(CN)NC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is OYJYNVIASXMTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11-4-2-3-7-16(11,10-18)19-15(21)14-8-12(17)9-20(14)13-5-6-13/h8-9,11,13H,2-7,10,18H2,1H3,(H,19,21).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 115308417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).