N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide

C23H21N3O3S — CID 55883286

IUPACN-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)ccc1=O
InChIInChI=1S/C23H21N3O3S/c1-16-7-3-5-9-19(16)26(23-24-18-8-4-6-10-20(18)30-23)22(28)17-11-12-21(27)25(15-17)13-14-29-2/h3-12,15H,13-14H2,1-2H3
InChIKeyHOHOKULVVKDVJH-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.39
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 55883286) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID55883286
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)ccc1=O
InChIInChI=1S/C23H21N3O3S/c1-16-7-3-5-9-19(16)26(23-24-18-8-4-6-10-20(18)30-23)22(28)17-11-12-21(27)25(15-17)13-14-29-2/h3-12,15H,13-14H2,1-2H3
InChIKeyHOHOKULVVKDVJH-UHFFFAOYSA-N
XLogP4.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
CID 55333760
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CID 2384867
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
CID 52533642
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)butanamide
CID 55333622
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
CID 55333571
N-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methylphenyl)propanamide
CID 55381162
N-(1,3-benzothiazol-2-yl)-7-methyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2472979
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide (CID 55883286) is N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide is COCCn1cc(C(=O)N(c2nc3ccccc3s2)c2ccccc2C)ccc1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is HOHOKULVVKDVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-7-3-5-9-19(16)26(23-24-18-8-4-6-10-20(18)30-23)22(28)17-11-12-21(27)25(15-17)13-14-29-2/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-N-(2-methylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 55883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).