N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C18H15ClN6O3S — CID 171587901

IUPACN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESN#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)CSc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H15ClN6O3S/c19-13-3-1-2-4-14(13)29-10-16(26)25(9-15-23-24-18(21)28-15)8-11-5-6-12(7-20)22-17(11)27/h1-6H,8-10H2,(H2,21,24)(H,22,27)
InChIKeyJEVGQZOVYOYXCU-UHFFFAOYSA-N
MW430.88 g/mol
LogP2.19
Rot. Bonds7

About N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide

N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 171587901) has the molecular formula C18H15ClN6O3S and a molecular weight of 430.88 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID171587901
Molecular FormulaC18H15ClN6O3S
Molecular Weight430.88 g/mol
Exact Mass430.06
IUPAC NameN-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESN#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)CSc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C18H15ClN6O3S/c19-13-3-1-2-4-14(13)29-10-16(26)25(9-15-23-24-18(21)28-15)8-11-5-6-12(7-20)22-17(11)27/h1-6H,8-10H2,(H2,21,24)(H,22,27)
InChIKeyJEVGQZOVYOYXCU-UHFFFAOYSA-N
XLogP2.19
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 171587901) is N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide is N#Cc1ccc(CN(Cc2nnc(N)o2)C(=O)CSc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is JEVGQZOVYOYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O3S/c19-13-3-1-2-4-14(13)29-10-16(26)25(9-15-23-24-18(21)28-15)8-11-5-6-12(7-20)22-17(11)27/h1-6H,8-10H2,(H2,21,24)(H,22,27).
What are the key properties of N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 430.88 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-[(6-cyano-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 171587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).