N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide

C19H16N4O3S — CID 138549830

IUPACN-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C)n4)sc3c2)ccn1
InChIInChI=1S/C19H16N4O3S/c1-10-14-5-4-12(25-13-6-7-21-15(8-13)19(24)20-3)9-16(14)27-17(10)18-22-11(2)26-23-18/h4-9H,1-3H3,(H,20,24)
InChIKeyCPLLAKMYNPEBCL-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.12
Rot. Bonds4

About N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 138549830) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
PubChem CID138549830
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C)n4)sc3c2)ccn1
InChIInChI=1S/C19H16N4O3S/c1-10-14-5-4-12(25-13-6-7-21-15(8-13)19(24)20-3)9-16(14)27-17(10)18-22-11(2)26-23-18/h4-9H,1-3H3,(H,20,24)
InChIKeyCPLLAKMYNPEBCL-UHFFFAOYSA-N
XLogP4.12
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide (CID 138549830) is N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C)n4)sc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is CPLLAKMYNPEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-10-14-5-4-12(25-13-6-7-21-15(8-13)19(24)20-3)9-16(14)27-17(10)18-22-11(2)26-23-18/h4-9H,1-3H3,(H,20,24).
What are the key properties of N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).