6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide

C21H23Cl2N3OS — CID 142028632

IUPAC6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(Cl)n2)CCN(CC(C)(C)c2cccc(Cl)c2)C1=S
InChIInChI=1S/C21H23Cl2N3OS/c1-20(2,14-6-4-7-15(22)12-14)13-26-11-10-21(3,19(26)28)25-18(27)16-8-5-9-17(23)24-16/h4-9,12H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyPXZXZDSTVRPMOH-UHFFFAOYSA-N
MW436.41 g/mol
LogP4.89
Rot. Bonds5

About 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide

6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 142028632) has the molecular formula C21H23Cl2N3OS and a molecular weight of 436.41 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID142028632
Molecular FormulaC21H23Cl2N3OS
Molecular Weight436.41 g/mol
Exact Mass435.09
IUPAC Name6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cccc(Cl)n2)CCN(CC(C)(C)c2cccc(Cl)c2)C1=S
InChIInChI=1S/C21H23Cl2N3OS/c1-20(2,14-6-4-7-15(22)12-14)13-26-11-10-21(3,19(26)28)25-18(27)16-8-5-9-17(23)24-16/h4-9,12H,10-11,13H2,1-3H3,(H,25,27)
InChIKeyPXZXZDSTVRPMOH-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-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-chloro-N-[(3R)-1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-methyl-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 57288281
1-[2-(3-chlorophenyl)-2-methylpropyl]-4-hydroxypyrrolidin-2-one
CID 168701854
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 22336276
6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 62234225
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
4-(chloromethyl)-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
CID 168506959
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
CID 168699121
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
(6-chloro-2-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656995
6-chloro-N-(3-cyanothiolan-3-yl)pyridine-2-carboxamide
CID 62234577
N'-[2-(3-chlorophenyl)-2-methylpropyl]morpholine-4-carboximidamide
CID 111088020

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide (CID 142028632) is 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide is CC1(NC(=O)c2cccc(Cl)n2)CCN(CC(C)(C)c2cccc(Cl)c2)C1=S.
What is the InChIKey of 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is PXZXZDSTVRPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3OS/c1-20(2,14-6-4-7-15(22)12-14)13-26-11-10-21(3,19(26)28)25-18(27)16-8-5-9-17(23)24-16/h4-9,12H,10-11,13H2,1-3H3,(H,25,27).
What are the key properties of 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide?
6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-(3-chlorophenyl)-2-methylpropyl]-3-methyl-2-sulfanylidenepyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 142028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).