4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide

C13H21N3O2 — CID 113475372

IUPAC4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C1CC1)C(C)(C)CO
InChIInChI=1S/C13H21N3O2/c1-13(2,8-17)15(3)12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,4-5,8,14H2,1-3H3
InChIKeyIJFFLLGOCMHLNH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide (PubChem CID 113475372) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
PubChem CID113475372
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C1CC1)C(C)(C)CO
InChIInChI=1S/C13H21N3O2/c1-13(2,8-17)15(3)12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,4-5,8,14H2,1-3H3
InChIKeyIJFFLLGOCMHLNH-UHFFFAOYSA-N
XLogP1.25
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 103100900
4-amino-1-cyclopropyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 79489755
4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
CID 82740887
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336
4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 83142197
3-(dimethylamino)propyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114526441
4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61115901
4-amino-1-cyclopropyl-N-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 62001599
ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61115168

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide (CID 113475372) is 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cc(N)cn1C1CC1)C(C)(C)CO.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide?
The InChIKey is IJFFLLGOCMHLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,8-17)15(3)12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,4-5,8,14H2,1-3H3.
What are the key properties of 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113475372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).