4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide

C13H19N3O2 — CID 82740887

IUPAC4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C1CC1)C1CCOC1
InChIInChI=1S/C13H19N3O2/c1-15(11-4-5-18-8-11)13(17)12-6-9(14)7-16(12)10-2-3-10/h6-7,10-11H,2-5,8,14H2,1H3
InChIKeySMWVENYRCZSZTM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide (PubChem CID 82740887) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
PubChem CID82740887
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C1CC1)C1CCOC1
InChIInChI=1S/C13H19N3O2/c1-15(11-4-5-18-8-11)13(17)12-6-9(14)7-16(12)10-2-3-10/h6-7,10-11H,2-5,8,14H2,1H3
InChIKeySMWVENYRCZSZTM-UHFFFAOYSA-N
XLogP1.27
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
1-cyclopropyl-4-[methyl(oxolan-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 82731840
4-amino-1-cyclopropyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyrrole-2-carboxamide
CID 113475372
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
4-amino-1-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61115901
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
4-amino-N-(2-amino-2-oxoethyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 103100900
4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
CID 61105549
4-amino-1-cyclopropyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 79489755

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide (CID 82740887) is 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide is CN(C(=O)c1cc(N)cn1C1CC1)C1CCOC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide?
The InChIKey is SMWVENYRCZSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(11-4-5-18-8-11)13(17)12-6-9(14)7-16(12)10-2-3-10/h6-7,10-11H,2-5,8,14H2,1H3.
What are the key properties of 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-methyl-N-(oxolan-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 82740887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).