5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide

C22H25F2N3O — CID 10430188

IUPAC5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCN)c1ccccc1
InChIInChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3
InChIKeyRMNSTABIWGFSQE-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.98
Rot. Bonds5

About 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide

5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (PubChem CID 10430188) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
PubChem CID10430188
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCN)c1ccccc1
InChIInChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3
InChIKeyRMNSTABIWGFSQE-UHFFFAOYSA-N
XLogP3.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-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

6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide
CID 10340050
(5S)-5-(4-aminobutyl)-3-(2,5-difluorophenyl)-N-(3-fluoro-1-methylpiperidin-4-yl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 11540596
(5S)-5-(aminomethyl)-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carboxylic acid
CID 10359259
3-(5-chloro-2-fluorophenyl)-5-[3-(methanesulfonamido)propyl]-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 10367860
N-[1-(2-aminoacetyl)piperidin-4-yl]-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 10005560
(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-5-phenyl-2H-pyrrole-1-carboxamide
CID 24905911
(5S)-3-(2,5-difluorophenyl)-N-(6-fluoro-1-methylazepan-4-yl)-5-(4-hydroxybutyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 11283718
3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-N-pyrrolidin-3-yl-2H-pyrrole-1-carboxamide
CID 10319545
2-[4-[[3-(2,5-difluorophenyl)-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carbonyl]-methylamino]piperidin-1-yl]acetic acid
CID 23614723
(5S)-5-(3-anilinopropyl)-3-(2,5-difluorophenyl)-N-(6-fluoro-1-methylazepan-4-yl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 11319146
3-(2,5-difluorophenyl)-N-[1-[3-(dimethylamino)prop-1-en-2-yl]piperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 58638036
(5S)-3-(2,5-difluorophenyl)-N-[(3S)-3-fluoro-1-methyl-1-oxidopiperidin-1-ium-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 11677247

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The IUPAC name of 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (CID 10430188) is 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCN)c1ccccc1.
What is the InChIKey of 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The InChIKey is RMNSTABIWGFSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3.
What are the key properties of 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 10430188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).