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

C26H20N4O4 — CID 22040368

IUPACN-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Oc5ccccc5)cc4)nc3c2)ccn1
InChIInChI=1S/C26H20N4O4/c1-27-25(31)23-16-21(13-14-28-23)33-20-11-12-24-22(15-20)30-26(34-24)29-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-16H,1H3,(H,27,31)(H,29,30)
InChIKeyVYXMPMYLFYWYHS-UHFFFAOYSA-N
MW452.47 g/mol
LogP5.91
Rot. Bonds7

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

N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 22040368) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID22040368
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC NameN-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Oc5ccccc5)cc4)nc3c2)ccn1
InChIInChI=1S/C26H20N4O4/c1-27-25(31)23-16-21(13-14-28-23)33-20-11-12-24-22(15-20)30-26(34-24)29-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-16H,1H3,(H,27,31)(H,29,30)
InChIKeyVYXMPMYLFYWYHS-UHFFFAOYSA-N
XLogP5.91
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-{[2-({4-chloro-3-[2-(dimethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11248659
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-7-fluoro-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11283899
4-[(2-{[4-chloro-3-(piperidin-4-ylmethoxy)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 11341153
4-{[2-({4-chloro-3-[2-(diethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11352732
4-{2-[4-chloro-3-((2S)-1-methyl-pyrrolidin-2-ylmethoxy)-phenylamino]-benzooxazol-5-yloxy}-pyridine-2-carboxylic acid amide
CID 11454711
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11620410
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11752517
4-({2-[(4-Chlorophenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
CID 17755310
4-[(2-{[4-chloro-3-(morpholin-4-ylmethyl)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 17755311
N-methyl-4-({2-[methyl(phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040802
4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040407
4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 22040368) is N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Oc5ccccc5)cc4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is VYXMPMYLFYWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c1-27-25(31)23-16-21(13-14-28-23)33-20-11-12-24-22(15-20)30-26(34-24)29-17-7-9-19(10-8-17)32-18-5-3-2-4-6-18/h2-16H,1H3,(H,27,31)(H,29,30).
What are the key properties of N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 452.47 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-phenoxyanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 22040368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).