4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide

C17H13N3O2S — CID 142556489

IUPAC4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(C#N)sc3c2)ccn1
InChIInChI=1S/C17H13N3O2S/c1-10-13-4-3-11(8-15(13)23-16(10)9-18)22-12-5-6-20-14(7-12)17(21)19-2/h3-8H,1-2H3,(H,19,21)
InChIKeyVFURMORIRRJJQB-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.63
Rot. Bonds3

About 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide

4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide (PubChem CID 142556489) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
PubChem CID142556489
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(C#N)sc3c2)ccn1
InChIInChI=1S/C17H13N3O2S/c1-10-13-4-3-11(8-15(13)23-16(10)9-18)22-12-5-6-20-14(7-12)17(21)19-2/h3-8H,1-2H3,(H,19,21)
InChIKeyVFURMORIRRJJQB-UHFFFAOYSA-N
XLogP3.63
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[3-methyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
CID 138549841
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 168541218
4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 56644831
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
CID 22040960
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[3-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 133429530
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide (CID 142556489) is 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C)c(C#N)sc3c2)ccn1.
What is the InChIKey of 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is VFURMORIRRJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-10-13-4-3-11(8-15(13)23-16(10)9-18)22-12-5-6-20-14(7-12)17(21)19-2/h3-8H,1-2H3,(H,19,21).
What are the key properties of 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide?
4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142556489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).