N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide

C22H18N4O4S — CID 71600843

IUPACN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(=O)n(-c4ccccc4)c3)sc2c1
InChIInChI=1S/C22H18N4O4S/c1-30-16-8-9-17-18(11-16)31-22(24-17)25-19(27)12-23-21(29)14-7-10-20(28)26(13-14)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,29)(H,24,25,27)
InChIKeyUGPBQXSUWKGYGK-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide

N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 71600843) has the molecular formula C22H18N4O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID71600843
Molecular FormulaC22H18N4O4S
Molecular Weight434.48 g/mol
Exact Mass434.10
IUPAC NameN-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)CNC(=O)c3ccc(=O)n(-c4ccccc4)c3)sc2c1
InChIInChI=1S/C22H18N4O4S/c1-30-16-8-9-17-18(11-16)31-22(24-17)25-19(27)12-23-21(29)14-7-10-20(28)26(13-14)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,29)(H,24,25,27)
InChIKeyUGPBQXSUWKGYGK-UHFFFAOYSA-N
XLogP2.82
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-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

N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenyltriazole-4-carboxamide
CID 43066318
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2,4-difluoro-N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 24597030
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
CID 91945548
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 23931404
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide (CID 71600843) is N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide is COc1ccc2nc(NC(=O)CNC(=O)c3ccc(=O)n(-c4ccccc4)c3)sc2c1.
What is the InChIKey of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is UGPBQXSUWKGYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S/c1-30-16-8-9-17-18(11-16)31-22(24-17)25-19(27)12-23-21(29)14-7-10-20(28)26(13-14)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,29)(H,24,25,27).
What are the key properties of N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide?
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 71600843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).