N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid

C54H44ClF9N12O6 — CID 158394299

IUPACN-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Cl)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Nc1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H21F3N6O2.C21H16ClF3N4O2.C5H6N2.C2HF3O2/c1-15-8-9-17(33-23(36)20-6-3-7-22(16(20)2)26(27,28)29)11-21(15)24(37)34-19-13-31-25(32-14-19)35-18-5-4-10-30-12-18;1-11-6-7-13(8-16(11)19(31)29-14-9-26-20(22)27-10-14)28-18(30)15-4-3-5-17(12(15)2)21(23,24)25;6-5-2-1-3-7-4-5;3-2(4,5)1(6)7/h3-14H,1-2H3,(H,33,36)(H,34,37)(H,31,32,35);3-10H,1-2H3,(H,28,30)(H,29,31);1-4H,6H2;(H,6,7)
InChIKeyKMYXZJSEMTUMDG-UHFFFAOYSA-N
MW1163.46 g/mol
LogP12.32
Rot. Bonds10

About N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid

N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 158394299) has the molecular formula C54H44ClF9N12O6 and a molecular weight of 1163.46 g/mol. Its IUPAC name is N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID158394299
Molecular FormulaC54H44ClF9N12O6
Molecular Weight1163.46 g/mol
Exact Mass1162.31
IUPAC NameN-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Cl)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Nc1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H21F3N6O2.C21H16ClF3N4O2.C5H6N2.C2HF3O2/c1-15-8-9-17(33-23(36)20-6-3-7-22(16(20)2)26(27,28)29)11-21(15)24(37)34-19-13-31-25(32-14-19)35-18-5-4-10-30-12-18;1-11-6-7-13(8-16(11)19(31)29-14-9-26-20(22)27-10-14)28-18(30)15-4-3-5-17(12(15)2)21(23,24)25;6-5-2-1-3-7-4-5;3-2(4,5)1(6)7/h3-14H,1-2H3,(H,33,36)(H,34,37)(H,31,32,35);3-10H,1-2H3,(H,28,30)(H,29,31);1-4H,6H2;(H,6,7)
InChIKeyKMYXZJSEMTUMDG-UHFFFAOYSA-N
XLogP12.32
TPSA269.09 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001163.46
LogP ≤ 512.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid 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 N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 158394299) is N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Cl)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1C(=O)Nc1cnc(Nc2cccnc2)nc1.Nc1cccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KMYXZJSEMTUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2.C21H16ClF3N4O2.C5H6N2.C2HF3O2/c1-15-8-9-17(33-23(36)20-6-3-7-22(16(20)2)26(27,28)29)11-21(15)24(37)34-19-13-31-25(32-14-19)35-18-5-4-10-30-12-18;1-11-6-7-13(8-16(11)19(31)29-14-9-26-20(22)27-10-14)28-18(30)15-4-3-5-17(12(15)2)21(23,24)25;6-5-2-1-3-7-4-5;3-2(4,5)1(6)7/h3-14H,1-2H3,(H,33,36)(H,34,37)(H,31,32,35);3-10H,1-2H3,(H,28,30)(H,29,31);1-4H,6H2;(H,6,7).
What are the key properties of N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid?
N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 1163.46 g/mol, XLogP of 12.32, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloropyrimidin-5-yl)carbamoyl]-4-methylphenyl]-2-methyl-3-(trifluoromethyl)benzamide;2-methyl-N-[4-methyl-3-[[2-(pyridin-3-ylamino)pyrimidin-5-yl]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide;pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158394299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).