N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C22H19N3O3S — CID 134016037

IUPACN-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(OC)nc3)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-27-17-9-10-18-19(12-17)29-22(24-18)25(14-15-6-4-3-5-7-15)21(26)16-8-11-20(28-2)23-13-16/h3-13H,14H2,1-2H3
InChIKeyIMCOIIUGGMCJGA-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.56
Rot. Bonds6

About N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 134016037) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID134016037
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(OC)nc3)sc2c1
InChIInChI=1S/C22H19N3O3S/c1-27-17-9-10-18-19(12-17)29-22(24-18)25(14-15-6-4-3-5-7-15)21(26)16-8-11-20(28-2)23-13-16/h3-13H,14H2,1-2H3
InChIKeyIMCOIIUGGMCJGA-UHFFFAOYSA-N
XLogP4.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 41110198
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41110232
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110261
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16597575
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 18582079
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41110507

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 134016037) is N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc(OC)nc3)sc2c1.
What is the InChIKey of N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is IMCOIIUGGMCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-27-17-9-10-18-19(12-17)29-22(24-18)25(14-15-6-4-3-5-7-15)21(26)16-8-11-20(28-2)23-13-16/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134016037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).