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

C18H23N3O2S — CID 78811351

IUPACN-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC2CCCCC2C)no1
InChIInChI=1S/C18H23N3O2S/c1-12-6-3-4-8-16(12)20-17(22)15-7-5-9-19-18(15)24-11-14-10-13(2)23-21-14/h5,7,9-10,12,16H,3-4,6,8,11H2,1-2H3,(H,20,22)
InChIKeyYCTSXLUDQYQTSI-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.98
Rot. Bonds5

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

N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 78811351) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID78811351
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC2CCCCC2C)no1
InChIInChI=1S/C18H23N3O2S/c1-12-6-3-4-8-16(12)20-17(22)15-7-5-9-19-18(15)24-11-14-10-13(2)23-21-14/h5,7,9-10,12,16H,3-4,6,8,11H2,1-2H3,(H,20,22)
InChIKeyYCTSXLUDQYQTSI-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55809513
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55391888
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 35224232
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 51255908
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-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide
CID 43047504
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 78811351) is N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NC2CCCCC2C)no1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is YCTSXLUDQYQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-6-3-4-8-16(12)20-17(22)15-7-5-9-19-18(15)24-11-14-10-13(2)23-21-14/h5,7,9-10,12,16H,3-4,6,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 78811351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).