4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide

C18H17N3O3S — CID 56644831

IUPAC4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Oc3ccnc(C(=O)NC)c3)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-3-20-18(23)16-8-11-4-5-12(10-15(11)25-16)24-13-6-7-21-14(9-13)17(22)19-2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQRRUQAPIDBFEKE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.20
Rot. Bonds5

About 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 56644831) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID56644831
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc2ccc(Oc3ccnc(C(=O)NC)c3)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-3-20-18(23)16-8-11-4-5-12(10-15(11)25-16)24-13-6-7-21-14(9-13)17(22)19-2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQRRUQAPIDBFEKE-UHFFFAOYSA-N
XLogP3.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
CID 142556489
N-ethyl-4-[(2-methylsulfanyl-1,3-benzothiazol-5-yl)oxy]pyridine-2-carboxamide;2-methylsulfanyl-1,3-benzothiazol-5-ol
CID 143791071
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N-ethyl-4-[[2-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
CID 158271800
4-[[2-[[(1S,6R)-6-carbamoylcyclohex-3-en-1-yl]methyl]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 147729581
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[(6-amino-5-ethyl-3-pyridinyl)oxy]-N-methylpyridine-2-carboxamide
CID 169032834

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 56644831) is 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is CCNC(=O)c1cc2ccc(Oc3ccnc(C(=O)NC)c3)cc2s1.
What is the InChIKey of 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is QRRUQAPIDBFEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-20-18(23)16-8-11-4-5-12(10-15(11)25-16)24-13-6-7-21-14(9-13)17(22)19-2/h4-10H,3H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 56644831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).