2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide

C20H26N4O — CID 70366035

IUPAC2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C(CN1CCCC1)c1cccnc1
InChIInChI=1S/C20H26N4O/c1-23(20(25)13-16-6-8-18(21)9-7-16)19(15-24-11-2-3-12-24)17-5-4-10-22-14-17/h4-10,14,19H,2-3,11-13,15,21H2,1H3
InChIKeyCXOQTTVNERXDRH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide

2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 70366035) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID70366035
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(C(=O)Cc1ccc(N)cc1)C(CN1CCCC1)c1cccnc1
InChIInChI=1S/C20H26N4O/c1-23(20(25)13-16-6-8-18(21)9-7-16)19(15-24-11-2-3-12-24)17-5-4-10-22-14-17/h4-10,14,19H,2-3,11-13,15,21H2,1H3
InChIKeyCXOQTTVNERXDRH-UHFFFAOYSA-N
XLogP2.50
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide 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-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-(4-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 10109550
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496
2-(3,4-dichlorophenyl)-N-[1-[3-(2-hydroxyprop-2-enoxy)phenyl]-2-pyrrolidin-1-ylethyl]-N-methylacetamide;ethane
CID 142136685
N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 10161182
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
N-[(1S)-1-[3-(methanesulfonamido)phenyl]-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 10186311

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide (CID 70366035) is 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide is CN(C(=O)Cc1ccc(N)cc1)C(CN1CCCC1)c1cccnc1.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is CXOQTTVNERXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(20(25)13-16-6-8-18(21)9-7-16)19(15-24-11-2-3-12-24)17-5-4-10-22-14-17/h4-10,14,19H,2-3,11-13,15,21H2,1H3.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide?
2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 70366035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).