4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol

C22H22N4O4 — CID 143564411

IUPAC4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4ccccc4)oc3c2)ccn1.CO
InChIInChI=1S/C21H18N4O3.CH4O/c1-22-20(26)18-11-16(9-10-23-18)27-15-7-8-17-19(12-15)28-21(25-17)24-13-14-5-3-2-4-6-14;1-2/h2-12H,13H2,1H3,(H,22,26)(H,24,25);2H,1H3
InChIKeyYNAJRXWBYXCLDR-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.60
Rot. Bonds6

About 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol

4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol (PubChem CID 143564411) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol.

Molecular Properties

Compound Name4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
PubChem CID143564411
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
SMILESCNC(=O)c1cc(Oc2ccc3nc(NCc4ccccc4)oc3c2)ccn1.CO
InChIInChI=1S/C21H18N4O3.CH4O/c1-22-20(26)18-11-16(9-10-23-18)27-15-7-8-17-19(12-15)28-21(25-17)24-13-14-5-3-2-4-6-14;1-2/h2-12H,13H2,1H3,(H,22,26)(H,24,25);2H,1H3
InChIKeyYNAJRXWBYXCLDR-UHFFFAOYSA-N
XLogP3.60
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol?
The IUPAC name of 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol (CID 143564411) is 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol.
What is the SMILES notation for 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol?
The canonical SMILES for 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol is CNC(=O)c1cc(Oc2ccc3nc(NCc4ccccc4)oc3c2)ccn1.CO.
What is the InChIKey of 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol?
The InChIKey is YNAJRXWBYXCLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.CH4O/c1-22-20(26)18-11-16(9-10-23-18)27-15-7-8-17-19(12-15)28-21(25-17)24-13-14-5-3-2-4-6-14;1-2/h2-12H,13H2,1H3,(H,22,26)(H,24,25);2H,1H3.
What are the key properties of 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol?
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol has a molecular weight of 406.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol is sourced from PubChem (CID 143564411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).