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

C13H21N3O — CID 43642107

IUPAC4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C13H21N3O/c1-9-3-5-11(6-4-9)15-13(17)12-7-10(14)8-16(12)2/h7-9,11H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyKHSIUWGNGNDISU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds2

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

4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 43642107) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
PubChem CID43642107
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)cn2C)CC1
InChIInChI=1S/C13H21N3O/c1-9-3-5-11(6-4-9)15-13(17)12-7-10(14)8-16(12)2/h7-9,11H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyKHSIUWGNGNDISU-UHFFFAOYSA-N
XLogP1.92
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43644159
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-amino-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106179845
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64738703

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (CID 43642107) is 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(N)cn2C)CC1.
What is the InChIKey of 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is KHSIUWGNGNDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-3-5-11(6-4-9)15-13(17)12-7-10(14)8-16(12)2/h7-9,11H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43642107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).