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

C20H22N4O2S — CID 59750233

IUPACN-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESNCCCCCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C20H22N4O2S/c21-12-5-1-2-6-13-22-19(26)15-9-7-10-16(23-15)20-24-18(25)14-8-3-4-11-17(14)27-20/h3-4,7-11H,1-2,5-6,12-13,21H2,(H,22,26)
InChIKeyKTUVPBFMEDTAFW-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.97
Rot. Bonds8

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

N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (PubChem CID 59750233) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
PubChem CID59750233
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
SMILESNCCCCCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C20H22N4O2S/c21-12-5-1-2-6-13-22-19(26)15-9-7-10-16(23-15)20-24-18(25)14-8-3-4-11-17(14)27-20/h3-4,7-11H,1-2,5-6,12-13,21H2,(H,22,26)
InChIKeyKTUVPBFMEDTAFW-UHFFFAOYSA-N
XLogP2.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-4H-1,3-benzothiazin-4-one
CID 9837640
S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-(2-pyridin-1-ium-1-ylethyl)carbamothioate bromide
CID 403327
N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6-(prop-1-enyl)picolinamide
CID 44419169
6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
CID 151280401
S-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] N-(2-pyridin-1-ium-1-ylethyl)carbamothioate bromide
CID 403324
S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] N-(2-pyridin-1-ium-1-ylethyl)carbamothioate bromide
CID 403331
Pyridine-2,6-dicarboxylic acid bis-(phenethyl-amide)
CID 1095055
N-hydroxy-5-(6-((phenethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 44418126
5-(6-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418208
4-amino-5-cyano-N-[(4-methylsulfonylphenyl)methyl]-6-[(Z)-prop-1-enyl]pyridine-2-carboxamide
CID 44419174
N-[2-[[(3S)-7-amino-1,2-dioxo-1-(pyridin-2-ylmethylamino)heptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
CID 44458144
Negative control for BTZO-1
CID 155558842

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide (CID 59750233) is N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is NCCCCCCNC(=O)c1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
The InChIKey is KTUVPBFMEDTAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c21-12-5-1-2-6-13-22-19(26)15-9-7-10-16(23-15)20-24-18(25)14-8-3-4-11-17(14)27-20/h3-4,7-11H,1-2,5-6,12-13,21H2,(H,22,26).
What are the key properties of N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide?
N-(6-aminohexyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.97, 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-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 59750233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).