N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C22H25N3O2 — CID 55980400

IUPACN-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)20-10-5-4-6-11-20)22(26)24(13-14-27-3)16-19-9-7-8-12-23-19/h4-12,15H,13-14,16H2,1-3H3
InChIKeyMMELIRYSJWUBEO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.78
Rot. Bonds7

About N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 55980400) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID55980400
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)20-10-5-4-6-11-20)22(26)24(13-14-27-3)16-19-9-7-8-12-23-19/h4-12,15H,13-14,16H2,1-3H3
InChIKeyMMELIRYSJWUBEO-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)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

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 51090979
N-benzyl-N-(2-methoxyethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30889510
5-iodo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 78949460
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
4-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 61052509
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 60955229
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
1-ethyl-N-(2-methoxyethyl)-2-oxo-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 77080615
4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 55980400) is N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is COCCN(Cc1ccccn1)C(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is MMELIRYSJWUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-15-21(18(2)25(17)20-10-5-4-6-11-20)22(26)24(13-14-27-3)16-19-9-7-8-12-23-19/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,5-dimethyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55980400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).