N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide

C21H18N4O2S — CID 22040960

IUPACN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25)
InChIKeyOQHDANFEHJZHFU-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.90
Rot. Bonds5

About N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 22040960) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID22040960
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25)
InChIKeyOQHDANFEHJZHFU-UHFFFAOYSA-N
XLogP4.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(cyclohexylamino)-1,3-benzothiazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89193535
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[[2-(4-bromoanilino)-1,3-benzothiazol-5-yl]oxy]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 21037089
4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433842
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[[3-[(4-methylbenzoyl)amino]-1,2,4-benzotriazin-6-yl]oxy]pyridine-2-carboxamide
CID 58624211
4-[[2-(4-bromoanilino)-1,3-benzothiazol-5-yl]oxy]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 21037243
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040929
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
2-[4-[[2-(4-butylanilino)-1,3-benzothiazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041174
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide (CID 22040960) is N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(C)cc4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is OQHDANFEHJZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-3-5-14(6-4-13)24-21-25-17-11-15(7-8-19(17)28-21)27-16-9-10-23-18(12-16)20(26)22-2/h3-12H,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-methylanilino)-1,3-benzothiazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 22040960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).