2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide

C23H25N3O2S — CID 43047504

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NCC2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C23H25N3O2S/c1-17-14-19(26-28-17)15-29-22-20(10-7-13-24-22)21(27)25-16-23(11-5-6-12-23)18-8-3-2-4-9-18/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,25,27)
InChIKeyZMTPOXHHCKRDFA-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.91
Rot. Bonds7

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide (PubChem CID 43047504) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
PubChem CID43047504
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NCC2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C23H25N3O2S/c1-17-14-19(26-28-17)15-29-22-20(10-7-13-24-22)21(27)25-16-23(11-5-6-12-23)18-8-3-2-4-9-18/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,25,27)
InChIKeyZMTPOXHHCKRDFA-UHFFFAOYSA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 47042281
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46418035
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 78811351
N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
CID 120828272
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 51253609
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 9488216
N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 47041344
N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
N'-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]-1H-indole-3-carbohydrazide
CID 37346068

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide (CID 43047504) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NCC2(c3ccccc3)CCCC2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZMTPOXHHCKRDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-14-19(26-28-17)15-29-22-20(10-7-13-24-22)21(27)25-16-23(11-5-6-12-23)18-8-3-2-4-9-18/h2-4,7-10,13-14H,5-6,11-12,15-16H2,1H3,(H,25,27).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 43047504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).