N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide

C21H24N4O2S — CID 59750177

IUPACN-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESCc1cccc2c(=O)nc(-c3cccc(C(=O)NCCCCCCN)n3)sc12
InChIInChI=1S/C21H24N4O2S/c1-14-8-6-9-15-18(14)28-21(25-19(15)26)17-11-7-10-16(24-17)20(27)23-13-5-3-2-4-12-22/h6-11H,2-5,12-13,22H2,1H3,(H,23,27)
InChIKeyURPBEGYULTWMMP-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.28
Rot. Bonds8

About N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide

N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (PubChem CID 59750177) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
PubChem CID59750177
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESCc1cccc2c(=O)nc(-c3cccc(C(=O)NCCCCCCN)n3)sc12
InChIInChI=1S/C21H24N4O2S/c1-14-8-6-9-15-18(14)28-21(25-19(15)26)17-11-7-10-16(24-17)20(27)23-13-5-3-2-4-12-22/h6-11H,2-5,12-13,22H2,1H3,(H,23,27)
InChIKeyURPBEGYULTWMMP-UHFFFAOYSA-N
XLogP3.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (CID 59750177) is N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is Cc1cccc2c(=O)nc(-c3cccc(C(=O)NCCCCCCN)n3)sc12.
What is the InChIKey of N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The InChIKey is URPBEGYULTWMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-8-6-9-15-18(14)28-21(25-19(15)26)17-11-7-10-16(24-17)20(27)23-13-5-3-2-4-12-22/h6-11H,2-5,12-13,22H2,1H3,(H,23,27).
What are the key properties of N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-6-(8-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 59750177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).