4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C22H21N3OS — CID 6619999

IUPAC4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C22H21N3OS/c26-22(24-15-19-8-4-5-11-23-19)18-9-10-21-20(14-18)25(12-13-27-21)16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,24,26)
InChIKeyMYTDQMDPIURTNX-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.12
Rot. Bonds5

About 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6619999) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6619999
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C22H21N3OS/c26-22(24-15-19-8-4-5-11-23-19)18-9-10-21-20(14-18)25(12-13-27-21)16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,24,26)
InChIKeyMYTDQMDPIURTNX-UHFFFAOYSA-N
XLogP4.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6619999) is 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NCc1ccccn1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is MYTDQMDPIURTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c26-22(24-15-19-8-4-5-11-23-19)18-9-10-21-20(14-18)25(12-13-27-21)16-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,24,26).
What are the key properties of 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6619999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).