2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide

C26H31N3O2 — CID 2742554

IUPAC2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccccc2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C26H31N3O2/c1-20-9-6-7-12-24(20)27-26(30)23-19-25(22-10-4-3-5-11-22)29(21(23)2)14-8-13-28-15-17-31-18-16-28/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,27,30)
InChIKeyLCIKYZYVRSCBAZ-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.75
Rot. Bonds7

About 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide

2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide (PubChem CID 2742554) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
PubChem CID2742554
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2ccccc2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C26H31N3O2/c1-20-9-6-7-12-24(20)27-26(30)23-19-25(22-10-4-3-5-11-22)29(21(23)2)14-8-13-28-15-17-31-18-16-28/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,27,30)
InChIKeyLCIKYZYVRSCBAZ-UHFFFAOYSA-N
XLogP4.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-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

Olinone
CID 91668531
HC067047
CID 2742550
1-(4-Methoxybutyl)-N-(2-Methylpropyl)-N-[(3s,5r)-5-(Morpholine-4-Carbonyl)piperidin-3-Yl]-5-Phenyl-1h-Pyrrole-2-Carboxamide
CID 58355693
2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide
CID 24812721
5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
CID 5329108
(Z)-2-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-3-methyl-5-(2-morpholin-4-yl-ethyl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one
CID 24742586
2-(2-Methoxyethylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 44190572
(7Z)-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 59376058
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 122186510
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]indole-3-carboxamide
CID 142589939
2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 156010672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide (CID 2742554) is 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(-c2ccccc2)n(CCCN2CCOCC2)c1C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The InChIKey is LCIKYZYVRSCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-20-9-6-7-12-24(20)27-26(30)23-19-25(22-10-4-3-5-11-22)29(21(23)2)14-8-13-28-15-17-31-18-16-28/h3-7,9-12,19H,8,13-18H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 2742554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).