5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide

C25H36FN3O — CID 24743426

IUPAC5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCCN2C)cc(C(C)(C)C)n1CCc1ccc(F)cc1
InChIInChI=1S/C25H36FN3O/c1-18-22(24(30)28(6)17-21-8-7-14-27(21)5)16-23(25(2,3)4)29(18)15-13-19-9-11-20(26)12-10-19/h9-12,16,21H,7-8,13-15,17H2,1-6H3
InChIKeyCWPQCGDRMORDKG-UHFFFAOYSA-N
MW413.58 g/mol
LogP4.64
Rot. Bonds6

About 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide

5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide (PubChem CID 24743426) has the molecular formula C25H36FN3O and a molecular weight of 413.58 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide
PubChem CID24743426
Molecular FormulaC25H36FN3O
Molecular Weight413.58 g/mol
Exact Mass413.28
IUPAC Name5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)N(C)CC2CCCN2C)cc(C(C)(C)C)n1CCc1ccc(F)cc1
InChIInChI=1S/C25H36FN3O/c1-18-22(24(30)28(6)17-21-8-7-14-27(21)5)16-23(25(2,3)4)29(18)15-13-19-9-11-20(26)12-10-19/h9-12,16,21H,7-8,13-15,17H2,1-6H3
InChIKeyCWPQCGDRMORDKG-UHFFFAOYSA-N
XLogP4.64
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]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

2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79318747
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79313807
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
4-amino-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303281
2-hydroxy-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79319088
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558759
2-hydroxy-3-methoxy-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 154739282

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide (CID 24743426) is 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide is Cc1c(C(=O)N(C)CC2CCCN2C)cc(C(C)(C)C)n1CCc1ccc(F)cc1.
What is the InChIKey of 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is CWPQCGDRMORDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O/c1-18-22(24(30)28(6)17-21-8-7-14-27(21)5)16-23(25(2,3)4)29(18)15-13-19-9-11-20(26)12-10-19/h9-12,16,21H,7-8,13-15,17H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide?
5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 413.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 24743426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).