2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide

C17H17N3O2S — CID 56730231

IUPAC2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)Sc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O2S/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCXVQLJWFEVWFFF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide

2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 56730231) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
PubChem CID56730231
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2ccccn2)Sc2ccccc2NC1=O
InChIInChI=1S/C17H17N3O2S/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyCXVQLJWFEVWFFF-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzoxazine-2-carboxamide
CID 56730054
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767747
2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686325
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-3-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 75797091
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide (CID 56730231) is 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)NCCc2ccccn2)Sc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is CXVQLJWFEVWFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-17(15(21)19-11-9-12-6-4-5-10-18-12)16(22)20-13-7-2-3-8-14(13)23-17/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56730231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).