N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide

C20H22N4O3S — CID 50777221

IUPACN,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccn1)C(=O)CS2
InChIInChI=1S/C20H22N4O3S/c1-3-23(4-2)20(27)14-8-9-16-15(11-14)24(19(26)13-28-16)12-18(25)22-17-7-5-6-10-21-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22,25)
InChIKeyHBVOWGZPCSVGTM-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.64
Rot. Bonds6

About N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide

N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide (PubChem CID 50777221) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
PubChem CID50777221
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccn1)C(=O)CS2
InChIInChI=1S/C20H22N4O3S/c1-3-23(4-2)20(27)14-8-9-16-15(11-14)24(19(26)13-28-16)12-18(25)22-17-7-5-6-10-21-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22,25)
InChIKeyHBVOWGZPCSVGTM-UHFFFAOYSA-N
XLogP2.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide (CID 50777221) is N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1ccccn1)C(=O)CS2.
What is the InChIKey of N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide?
The InChIKey is HBVOWGZPCSVGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-23(4-2)20(27)14-8-9-16-15(11-14)24(19(26)13-28-16)12-18(25)22-17-7-5-6-10-21-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22,25).
What are the key properties of N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide?
N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-oxo-4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 50777221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).