N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide

C19H26ClN3O — CID 139522091

IUPACN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide
SMILESCCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN1
InChIInChI=1S/C19H26ClN3O/c1-2-17-10-15(12-21-17)19(24)23-18-7-6-14(11-22-18)8-13-4-3-5-16(20)9-13/h3-5,9,11,14-15,17-18,21H,2,6-8,10,12H2,1H3,(H,23,24)
InChIKeyLFOFKMBLXWUAAP-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.19
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide (PubChem CID 139522091) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide
PubChem CID139522091
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide
SMILESCCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN1
InChIInChI=1S/C19H26ClN3O/c1-2-17-10-15(12-21-17)19(24)23-18-7-6-14(11-22-18)8-13-4-3-5-16(20)9-13/h3-5,9,11,14-15,17-18,21H,2,6-8,10,12H2,1H3,(H,23,24)
InChIKeyLFOFKMBLXWUAAP-UHFFFAOYSA-N
XLogP3.19
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-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

N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide
CID 155153073
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 155153060
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 155153161
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
CID 90760388
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
CID 142001111
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
5-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 112574745

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide (CID 139522091) is N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide is CCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide?
The InChIKey is LFOFKMBLXWUAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-2-17-10-15(12-21-17)19(24)23-18-7-6-14(11-22-18)8-13-4-3-5-16(20)9-13/h3-5,9,11,14-15,17-18,21H,2,6-8,10,12H2,1H3,(H,23,24).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide has a molecular weight of 347.89 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 139522091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).