3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide

C101H86N20O17S3 — CID 158272294

IUPAC3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C#N)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)c3)cc21.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)cc1
InChIInChI=1S/C21H18N4O3.C21H16N4O2.2C20H18N4O4S.C19H16N4O4S/c1-25-17-10-13(5-6-18(17)28-12-20(25)26)14-7-8-23-19(11-14)24-16-4-2-3-15(9-16)21(22)27;1-25-18-10-15(5-6-19(18)27-13-21(25)26)16-7-8-23-20(11-16)24-17-4-2-3-14(9-17)12-22;1-24-17-10-13(2-7-18(17)28-12-20(24)25)14-8-9-22-19(11-14)23-15-3-5-16(6-4-15)29(21,26)27;1-24-17-9-13(5-6-18(17)28-12-20(24)25)14-7-8-22-19(10-14)23-15-3-2-4-16(11-15)29(21,26)27;20-28(25,26)15-4-2-14(3-5-15)22-18-10-13(7-8-21-18)12-1-6-17-16(9-12)23-19(24)11-27-17/h2-11H,12H2,1H3,(H2,22,27)(H,23,24);2-11H,13H2,1H3,(H,23,24);2*2-11H,12H2,1H3,(H,22,23)(H2,21,26,27);1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyGJEMNQXYKRUIDD-UHFFFAOYSA-N
MW1948.12 g/mol
LogP14.13
Rot. Bonds19

About 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide

3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 158272294) has the molecular formula C101H86N20O17S3 and a molecular weight of 1948.12 g/mol. Its IUPAC name is 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID158272294
Molecular FormulaC101H86N20O17S3
Molecular Weight1948.12 g/mol
Exact Mass1946.56
IUPAC Name3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
SMILESCN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C#N)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)c3)cc21.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)cc1
InChIInChI=1S/C21H18N4O3.C21H16N4O2.2C20H18N4O4S.C19H16N4O4S/c1-25-17-10-13(5-6-18(17)28-12-20(25)26)14-7-8-23-19(11-14)24-16-4-2-3-15(9-16)21(22)27;1-25-18-10-15(5-6-19(18)27-13-21(25)26)16-7-8-23-20(11-16)24-17-4-2-3-14(9-17)12-22;1-24-17-10-13(2-7-18(17)28-12-20(24)25)14-8-9-22-19(11-14)23-15-3-5-16(6-4-15)29(21,26)27;1-24-17-9-13(5-6-18(17)28-12-20(24)25)14-7-8-22-19(10-14)23-15-3-2-4-16(11-15)29(21,26)27;20-28(25,26)15-4-2-14(3-5-15)22-18-10-13(7-8-21-18)12-1-6-17-16(9-12)23-19(24)11-27-17/h2-11H,12H2,1H3,(H2,22,27)(H,23,24);2-11H,13H2,1H3,(H,23,24);2*2-11H,12H2,1H3,(H,22,23)(H2,21,26,27);1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyGJEMNQXYKRUIDD-UHFFFAOYSA-N
XLogP14.13
TPSA528.45 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.12
LogP ≤ 514.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide 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

3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
CID 10430851
6-(2-anilino-4-pyridinyl)-4-methyl-1,4-benzoxazin-3-one;ethane
CID 90868639
6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 10338616
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10475912
6-[2-(3-isocyanoanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one;3-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;4-[[4-[3-oxo-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-6-yl]-2-pyridinyl]amino]benzenesulfonamide;6-[2-(3-phenoxyanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one;6-[2-(3-phenylanilino)-4-pyridinyl]-4-(pyridin-3-ylmethyl)-1,4-benzoxazin-3-one
CID 158684684
3-cyano-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783550
3-[[7-cyano-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-imidazo[1,2-b]pyrazol-3-yl]amino]benzoic acid
CID 126736353
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
3-[[4-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-pyridinyl]amino]benzenesulfonamide
CID 142168234
3-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]benzamide
CID 172571056

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide (CID 158272294) is 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide is CN1C(=O)COc2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C#N)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(C(N)=O)c4)c3)cc21.CN1C(=O)COc2ccc(-c3ccnc(Nc4cccc(S(N)(=O)=O)c4)c3)cc21.NS(=O)(=O)c1ccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)cc1.
What is the InChIKey of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is GJEMNQXYKRUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.C21H16N4O2.2C20H18N4O4S.C19H16N4O4S/c1-25-17-10-13(5-6-18(17)28-12-20(25)26)14-7-8-23-19(11-14)24-16-4-2-3-15(9-16)21(22)27;1-25-18-10-15(5-6-19(18)27-13-21(25)26)16-7-8-23-20(11-16)24-17-4-2-3-14(9-17)12-22;1-24-17-10-13(2-7-18(17)28-12-20(24)25)14-8-9-22-19(11-14)23-15-3-5-16(6-4-15)29(21,26)27;1-24-17-9-13(5-6-18(17)28-12-20(24)25)14-7-8-22-19(10-14)23-15-3-2-4-16(11-15)29(21,26)27;20-28(25,26)15-4-2-14(3-5-15)22-18-10-13(7-8-21-18)12-1-6-17-16(9-12)23-19(24)11-27-17/h2-11H,12H2,1H3,(H2,22,27)(H,23,24);2-11H,13H2,1H3,(H,23,24);2*2-11H,12H2,1H3,(H,22,23)(H2,21,26,27);1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26).
What are the key properties of 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 1948.12 g/mol, XLogP of 14.13, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;4-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide;3-[[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzonitrile;4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 158272294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).