N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C90H83N21O5 — CID 159218143

IUPACN-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESC=CC(=O)NCc1c(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1.C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C.C=Cc1nc(C)cn1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C32H30N8O2.C30H27N7O.C28H26N6O2/c1-5-30(41)35-17-26-21(3)13-25(15-29(26)40-18-22(4)36-19-40)37-31(42)23-9-8-20(2)28(14-23)39-32-34-12-10-27(38-32)24-7-6-11-33-16-24;1-5-28-33-21(4)18-37(28)25-14-19(2)13-24(16-25)34-29(38)22-9-8-20(3)27(15-22)36-30-32-12-10-26(35-30)23-7-6-11-31-17-23;1-4-26(35)31-17-21-9-10-23(14-19(21)3)32-27(36)20-8-7-18(2)25(15-20)34-28-30-13-11-24(33-28)22-6-5-12-29-16-22/h5-16,18-19H,1,17H2,2-4H3,(H,35,41)(H,37,42)(H,34,38,39);5-18H,1H2,2-4H3,(H,34,38)(H,32,35,36);4-16H,1,17H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
InChIKeyKRIMBGDMODETJW-UHFFFAOYSA-N
MW1538.80 g/mol
LogP16.69
Rot. Bonds24

About N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 159218143) has the molecular formula C90H83N21O5 and a molecular weight of 1538.80 g/mol. Its IUPAC name is N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID159218143
Molecular FormulaC90H83N21O5
Molecular Weight1538.80 g/mol
Exact Mass1537.69
IUPAC NameN-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESC=CC(=O)NCc1c(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1.C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C.C=Cc1nc(C)cn1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1
InChIInChI=1S/C32H30N8O2.C30H27N7O.C28H26N6O2/c1-5-30(41)35-17-26-21(3)13-25(15-29(26)40-18-22(4)36-19-40)37-31(42)23-9-8-20(2)28(14-23)39-32-34-12-10-27(38-32)24-7-6-11-33-16-24;1-5-28-33-21(4)18-37(28)25-14-19(2)13-24(16-25)34-29(38)22-9-8-20(3)27(15-22)36-30-32-12-10-26(35-30)23-7-6-11-31-17-23;1-4-26(35)31-17-21-9-10-23(14-19(21)3)32-27(36)20-8-7-18(2)25(15-20)34-28-30-13-11-24(33-28)22-6-5-12-29-16-22/h5-16,18-19H,1,17H2,2-4H3,(H,35,41)(H,37,42)(H,34,38,39);5-18H,1H2,2-4H3,(H,34,38)(H,32,35,36);4-16H,1,17H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34)
InChIKeyKRIMBGDMODETJW-UHFFFAOYSA-N
XLogP16.69
TPSA333.24 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001538.80
LogP ≤ 516.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide 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

4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 25126229
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 158097560
4-methyl-3-(prop-2-enoylamino)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71664306
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;2,2,2-trifluoroacetic acid
CID 171390255
4-methyl-N-[2-methyl-6-(4-methylimidazol-1-yl)-4-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 164898147
4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 149318625
butane-1,1-disulfonic acid;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 118865666
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 175243985
cyclohexanecarboxylic acid;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 90214521
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
2,3,6-trideuterio-N-[3-(2,5-dideuterio-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;2,3,6-trideuterio-N-[3-(2,5-dideuterio-3-methylpyrrol-1-yl)-5-methylphenyl]-4-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;2,3,6-trideuterio-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-4-(trideuteriomethyl)benzamide
CID 158538529

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 159218143) is N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is C=CC(=O)NCc1c(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1-n1cnc(C)c1.C=CC(=O)NCc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C.C=Cc1nc(C)cn1-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c1.
What is the InChIKey of N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is KRIMBGDMODETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O2.C30H27N7O.C28H26N6O2/c1-5-30(41)35-17-26-21(3)13-25(15-29(26)40-18-22(4)36-19-40)37-31(42)23-9-8-20(2)28(14-23)39-32-34-12-10-27(38-32)24-7-6-11-33-16-24;1-5-28-33-21(4)18-37(28)25-14-19(2)13-24(16-25)34-29(38)22-9-8-20(3)27(15-22)36-30-32-12-10-26(35-30)23-7-6-11-31-17-23;1-4-26(35)31-17-21-9-10-23(14-19(21)3)32-27(36)20-8-7-18(2)25(15-20)34-28-30-13-11-24(33-28)22-6-5-12-29-16-22/h5-16,18-19H,1,17H2,2-4H3,(H,35,41)(H,37,42)(H,34,38,39);5-18H,1H2,2-4H3,(H,34,38)(H,32,35,36);4-16H,1,17H2,2-3H3,(H,31,35)(H,32,36)(H,30,33,34).
What are the key properties of N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 1538.80 g/mol, XLogP of 16.69, 24 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethenyl-4-methylimidazol-1-yl)-5-methylphenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-methyl-4-[(prop-2-enoylamino)methyl]phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 159218143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).