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

C20H21N3O2S — CID 38543150

IUPAC3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2N2CCOCC2)sc2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-14-16-6-2-3-7-17(16)26-18(14)20(24)22-13-15-5-4-8-21-19(15)23-9-11-25-12-10-23/h2-8H,9-13H2,1H3,(H,22,24)
InChIKeyUHWLEJIDVNWCKH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.37
Rot. Bonds4

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

3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 38543150) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID38543150
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2N2CCOCC2)sc2ccccc12
InChIInChI=1S/C20H21N3O2S/c1-14-16-6-2-3-7-17(16)26-18(14)20(24)22-13-15-5-4-8-21-19(15)23-9-11-25-12-10-23/h2-8H,9-13H2,1H3,(H,22,24)
InChIKeyUHWLEJIDVNWCKH-UHFFFAOYSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38542555
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 48986231
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 134053278
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide (CID 38543150) is 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCc2cccnc2N2CCOCC2)sc2ccccc12.
What is the InChIKey of 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UHWLEJIDVNWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-16-6-2-3-7-17(16)26-18(14)20(24)22-13-15-5-4-8-21-19(15)23-9-11-25-12-10-23/h2-8H,9-13H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide?
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 38543150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).