3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C19H19N3O2S — CID 134053278

IUPAC3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)sc2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-13-15-4-2-3-5-16(15)25-18(13)19(23)21-17-7-6-14(12-20-17)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyCLJWRLJFXXQHIE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.69
Rot. Bonds3

About 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide

3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 134053278) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID134053278
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)sc2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-13-15-4-2-3-5-16(15)25-18(13)19(23)21-17-7-6-14(12-20-17)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyCLJWRLJFXXQHIE-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 38139634
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
5-methoxy-3-methyl-N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1-benzothiophene-2-carboxamide
CID 75469958
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
2-(difluoromethoxy)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 25345280
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 134053278) is 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCOCC3)cn2)sc2ccccc12.
What is the InChIKey of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CLJWRLJFXXQHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-15-4-2-3-5-16(15)25-18(13)19(23)21-17-7-6-14(12-20-17)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23).
What are the key properties of 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 134053278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).