2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

C13H9ClN4OS — CID 2038732

IUPAC2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2nsnc2c1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9ClN4OS/c1-7-4-5-9-11(18-20-17-9)10(7)16-13(19)8-3-2-6-15-12(8)14/h2-6H,1H3,(H,16,19)
InChIKeySEBKFLBPORXNDJ-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide

2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (PubChem CID 2038732) has the molecular formula C13H9ClN4OS and a molecular weight of 304.76 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
PubChem CID2038732
Molecular FormulaC13H9ClN4OS
Molecular Weight304.76 g/mol
Exact Mass304.02
IUPAC Name2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2nsnc2c1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H9ClN4OS/c1-7-4-5-9-11(18-20-17-9)10(7)16-13(19)8-3-2-6-15-12(8)14/h2-6H,1H3,(H,16,19)
InChIKeySEBKFLBPORXNDJ-UHFFFAOYSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)naphthalene-1-carboxamide
CID 17027032
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-hydrazinylpyridine-3-carboxamide
CID 65452578
3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 5091717
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 43547697
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide (CID 2038732) is 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is Cc1ccc2nsnc2c1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
The InChIKey is SEBKFLBPORXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS/c1-7-4-5-9-11(18-20-17-9)10(7)16-13(19)8-3-2-6-15-12(8)14/h2-6H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide?
2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2038732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).