N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

C20H18N4O2S — CID 134035085

IUPACN-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC(C)c2ccc(C#N)cc2)no1
InChIInChI=1S/C20H18N4O2S/c1-13-10-17(24-26-13)12-27-20-18(4-3-9-22-20)19(25)23-14(2)16-7-5-15(11-21)6-8-16/h3-10,14H,12H2,1-2H3,(H,23,25)
InChIKeyLZBRBKWXKFPTKR-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.03
Rot. Bonds6

About N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 134035085) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID134035085
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)NC(C)c2ccc(C#N)cc2)no1
InChIInChI=1S/C20H18N4O2S/c1-13-10-17(24-26-13)12-27-20-18(4-3-9-22-20)19(25)23-14(2)16-7-5-15(11-21)6-8-16/h3-10,14H,12H2,1-2H3,(H,23,25)
InChIKeyLZBRBKWXKFPTKR-UHFFFAOYSA-N
XLogP4.03
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46523496
(4-cyanophenyl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 8836167
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55887538
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 47044077
N-[2-(methylamino)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide;dihydrochloride
CID 120828272
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
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-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
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-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 46546742

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide (CID 134035085) is N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)NC(C)c2ccc(C#N)cc2)no1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is LZBRBKWXKFPTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-10-17(24-26-13)12-27-20-18(4-3-9-22-20)19(25)23-14(2)16-7-5-15(11-21)6-8-16/h3-10,14H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 134035085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).