N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide

C25H33N4O2+ — CID 7390755

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCC3)[nH+]c2)c1C
InChIInChI=1S/C25H32N4O2/c1-18-8-7-11-22(19(18)2)29(17-24(30)27-21-9-3-4-10-21)25(31)20-12-13-23(26-16-20)28-14-5-6-15-28/h7-8,11-13,16,21H,3-6,9-10,14-15,17H2,1-2H3,(H,27,30)/p+1
InChIKeyJLTLBHRSBFRCFR-UHFFFAOYSA-O
MW421.57 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (PubChem CID 7390755) has the molecular formula C25H33N4O2+ and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
PubChem CID7390755
Molecular FormulaC25H33N4O2+
Molecular Weight421.57 g/mol
Exact Mass421.26
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCC3)[nH+]c2)c1C
InChIInChI=1S/C25H32N4O2/c1-18-8-7-11-22(19(18)2)29(17-24(30)27-21-9-3-4-10-21)25(31)20-12-13-23(26-16-20)28-14-5-6-15-28/h7-8,11-13,16,21H,3-6,9-10,14-15,17H2,1-2H3,(H,27,30)/p+1
InChIKeyJLTLBHRSBFRCFR-UHFFFAOYSA-O
XLogP3.42
TPSA66.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-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-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3179749
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3228296
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide
CID 171713876
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide (CID 7390755) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(N3CCCC3)[nH+]c2)c1C.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
The InChIKey is JLTLBHRSBFRCFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N4O2/c1-18-8-7-11-22(19(18)2)29(17-24(30)27-21-9-3-4-10-21)25(31)20-12-13-23(26-16-20)28-14-5-6-15-28/h7-8,11-13,16,21H,3-6,9-10,14-15,17H2,1-2H3,(H,27,30)/p+1.
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 7390755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).