6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide

C19H15N3O5S2 — CID 58579570

IUPAC6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N3S(=O)(=O)c4ccccc4S3(=O)=O)cc2)n1
InChIInChI=1S/C19H15N3O5S2/c1-13-5-4-6-16(20-13)19(23)21-14-9-11-15(12-10-14)22-28(24,25)17-7-2-3-8-18(17)29(22,26)27/h2-12H,1H3,(H,21,23)
InChIKeyWHZNPSGIDZKMMG-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.54
Rot. Bonds3

About 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide

6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58579570) has the molecular formula C19H15N3O5S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58579570
Molecular FormulaC19H15N3O5S2
Molecular Weight429.48 g/mol
Exact Mass429.05
IUPAC Name6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N3S(=O)(=O)c4ccccc4S3(=O)=O)cc2)n1
InChIInChI=1S/C19H15N3O5S2/c1-13-5-4-6-16(20-13)19(23)21-14-9-11-15(12-10-14)22-28(24,25)17-7-2-3-8-18(17)29(22,26)27/h2-12H,1H3,(H,21,23)
InChIKeyWHZNPSGIDZKMMG-UHFFFAOYSA-N
XLogP2.54
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
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N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
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6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
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methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
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N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
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N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224
ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate
CID 43072028

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide (CID 58579570) is 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(N3S(=O)(=O)c4ccccc4S3(=O)=O)cc2)n1.
What is the InChIKey of 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is WHZNPSGIDZKMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S2/c1-13-5-4-6-16(20-13)19(23)21-14-9-11-15(12-10-14)22-28(24,25)17-7-2-3-8-18(17)29(22,26)27/h2-12H,1H3,(H,21,23).
What are the key properties of 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide?
6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58579570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).