4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide

C19H21N3O3S — CID 46279545

IUPAC4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCSc2ncccc21
InChIInChI=1S/C19H21N3O3S/c1-25-16-7-3-2-5-14(16)13-21-17(23)8-9-18(24)22-11-12-26-19-15(22)6-4-10-20-19/h2-7,10H,8-9,11-13H2,1H3,(H,21,23)
InChIKeyLTQNOMMULFGEQH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds6

About 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide

4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide (PubChem CID 46279545) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
PubChem CID46279545
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccccc1CNC(=O)CCC(=O)N1CCSc2ncccc21
InChIInChI=1S/C19H21N3O3S/c1-25-16-7-3-2-5-14(16)13-21-17(23)8-9-18(24)22-11-12-26-19-15(22)6-4-10-20-19/h2-7,10H,8-9,11-13H2,1H3,(H,21,23)
InChIKeyLTQNOMMULFGEQH-UHFFFAOYSA-N
XLogP2.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921266
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 56563083
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 56560329
N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929064
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[(2-fluorophenyl)methyl]-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
CID 20929105
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 56564886
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 56564447
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 56560986
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113202520
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 22513114
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide (CID 46279545) is 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide is COc1ccccc1CNC(=O)CCC(=O)N1CCSc2ncccc21.
What is the InChIKey of 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
The InChIKey is LTQNOMMULFGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-16-7-3-2-5-14(16)13-21-17(23)8-9-18(24)22-11-12-26-19-15(22)6-4-10-20-19/h2-7,10H,8-9,11-13H2,1H3,(H,21,23).
What are the key properties of 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide?
4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide has a molecular weight of 371.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 46279545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).