N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide

C17H16N4O4S — CID 9185553

IUPACN-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2ccccn2)o1
InChIInChI=1S/C17H16N4O4S/c1-26(23,24)17-21-20-16(25-17)14(11-12-7-3-2-4-8-12)19-15(22)13-9-5-6-10-18-13/h2-10,14H,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFYCVPLOZCZBZJV-AWEZNQCLSA-N
MW372.41 g/mol
LogP1.58
Rot. Bonds6

About N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide

N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 9185553) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
PubChem CID9185553
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2ccccn2)o1
InChIInChI=1S/C17H16N4O4S/c1-26(23,24)17-21-20-16(25-17)14(11-12-7-3-2-4-8-12)19-15(22)13-9-5-6-10-18-13/h2-10,14H,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFYCVPLOZCZBZJV-AWEZNQCLSA-N
XLogP1.58
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 9188441
2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 9185904
3-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 9185918
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
CID 9185776
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide (CID 9185553) is N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide is CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2ccccn2)o1.
What is the InChIKey of N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is FYCVPLOZCZBZJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-26(23,24)17-21-20-16(25-17)14(11-12-7-3-2-4-8-12)19-15(22)13-9-5-6-10-18-13/h2-10,14H,11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide?
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9185553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).