4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide

C13H21N3O — CID 61107798

IUPAC4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)16(2)13(17)11-7-10(14)8-15-11/h7-9,12,15H,3-6,14H2,1-2H3
InChIKeyZRFBMXPKBVAHGW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds2

About 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide (PubChem CID 61107798) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
PubChem CID61107798
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)16(2)13(17)11-7-10(14)8-15-11/h7-9,12,15H,3-6,14H2,1-2H3
InChIKeyZRFBMXPKBVAHGW-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-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-amino-N,N-dicyclohexyl-1H-pyrrole-2-carboxamide
CID 43642543
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61114401
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104999
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
4-amino-N,6-dimethyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 81240095
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1H-pyrrole-2-carboxamide
CID 61210791
tert-butyl 4-amino-1H-pyrrole-2-carboxylate
CID 61310600

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide (CID 61107798) is 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide is CC1CCCCC1N(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZRFBMXPKBVAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-3-4-6-12(9)16(2)13(17)11-7-10(14)8-15-11/h7-9,12,15H,3-6,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61107798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).