N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide

C30H34N4OS — CID 19370326

IUPACN-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
SMILESCN(CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)C(=O)C1(c2cccnc2)NCCS1
InChIInChI=1S/C30H34N4OS/c1-33(29(35)30(32-17-22-36-30)27-13-8-16-31-23-27)20-21-34-18-14-26(15-19-34)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-13,16,23,32H,14-15,17-22H2,1H3
InChIKeyMBACEFUDGRSIOK-UHFFFAOYSA-N
MW498.70 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide

N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide (PubChem CID 19370326) has the molecular formula C30H34N4OS and a molecular weight of 498.70 g/mol. Its IUPAC name is N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
PubChem CID19370326
Molecular FormulaC30H34N4OS
Molecular Weight498.70 g/mol
Exact Mass498.25
IUPAC NameN-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
SMILESCN(CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)C(=O)C1(c2cccnc2)NCCS1
InChIInChI=1S/C30H34N4OS/c1-33(29(35)30(32-17-22-36-30)27-13-8-16-31-23-27)20-21-34-18-14-26(15-19-34)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-13,16,23,32H,14-15,17-22H2,1H3
InChIKeyMBACEFUDGRSIOK-UHFFFAOYSA-N
XLogP4.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.70
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
CID 19370333
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 10692940
2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119903379
4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
CID 139685650
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide (CID 19370326) is N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide is CN(CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)C(=O)C1(c2cccnc2)NCCS1.
What is the InChIKey of N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
The InChIKey is MBACEFUDGRSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4OS/c1-33(29(35)30(32-17-22-36-30)27-13-8-16-31-23-27)20-21-34-18-14-26(15-19-34)28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-13,16,23,32H,14-15,17-22H2,1H3.
What are the key properties of N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide?
N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide has a molecular weight of 498.70 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-N-methyl-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 19370326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).