2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

C23H26N4O2 — CID 60612809

IUPAC2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H26N4O2/c1-16-6-9-21(27-17(2)7-8-18(27)3)20(13-16)23(29)25-12-10-22(28)26-15-19-5-4-11-24-14-19/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyDNWMCGWDSVJUDK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.23
Rot. Bonds7

About 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide

2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (PubChem CID 60612809) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
PubChem CID60612809
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
SMILESCc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC(=O)NCc2cccnc2)c1
InChIInChI=1S/C23H26N4O2/c1-16-6-9-21(27-17(2)7-8-18(27)3)20(13-16)23(29)25-12-10-22(28)26-15-19-5-4-11-24-14-19/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyDNWMCGWDSVJUDK-UHFFFAOYSA-N
XLogP3.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide 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

2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46141727
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N'-[(E)-[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
CID 94837380
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide (CID 60612809) is 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCC(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
The InChIKey is DNWMCGWDSVJUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-6-9-21(27-17(2)7-8-18(27)3)20(13-16)23(29)25-12-10-22(28)26-15-19-5-4-11-24-14-19/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide?
2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 60612809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).