1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

C13H21N3O2 — CID 91130996

IUPAC1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)ccn1C
InChIInChI=1S/C13H21N3O2/c1-11-12(3-5-15(11)2)13(17)14-4-6-16-7-9-18-10-8-16/h3,5H,4,6-10H2,1-2H3,(H,14,17)
InChIKeyPJBZCQWMGOIRSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds4

About 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide

1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (PubChem CID 91130996) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
PubChem CID91130996
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)ccn1C
InChIInChI=1S/C13H21N3O2/c1-11-12(3-5-15(11)2)13(17)14-4-6-16-7-9-18-10-8-16/h3,5H,4,6-10H2,1-2H3,(H,14,17)
InChIKeyPJBZCQWMGOIRSV-UHFFFAOYSA-N
XLogP0.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-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-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110680945
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide (CID 91130996) is 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)ccn1C.
What is the InChIKey of 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
The InChIKey is PJBZCQWMGOIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-12(3-5-15(11)2)13(17)14-4-6-16-7-9-18-10-8-16/h3,5H,4,6-10H2,1-2H3,(H,14,17).
What are the key properties of 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide?
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 91130996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).