N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C20H22N4O3S — CID 55584393

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c25-18(12-17-20(26)23-15-5-1-2-6-16(15)28-17)22-13-14-4-3-7-21-19(14)24-8-10-27-11-9-24/h1-7,17H,8-13H2,(H,22,25)(H,23,26)
InChIKeyGKYMNXJQBSBQPU-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.04
Rot. Bonds5

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55584393) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55584393
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H22N4O3S/c25-18(12-17-20(26)23-15-5-1-2-6-16(15)28-17)22-13-14-4-3-7-21-19(14)24-8-10-27-11-9-24/h1-7,17H,8-13H2,(H,22,25)(H,23,26)
InChIKeyGKYMNXJQBSBQPU-UHFFFAOYSA-N
XLogP2.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide with MolForge

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42928706
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55977401
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55547756
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40834810
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55584393) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is GKYMNXJQBSBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-18(12-17-20(26)23-15-5-1-2-6-16(15)28-17)22-13-14-4-3-7-21-19(14)24-8-10-27-11-9-24/h1-7,17H,8-13H2,(H,22,25)(H,23,26).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55584393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).