N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide

C98H78F6N16O4 — CID 158271459

IUPACN-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)cn2)ccn1.Cc1cccc(-c2ccc(CC(=O)Cc3ccc(-c4ccnnc4)c(C(F)(F)F)c3)cn2)c1.Cc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)cn2)c1.O=C(Cc1ccc(-c2ccncc2)nc1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C27H22F3N3O.C26H20F3N3O.C23H19N5O.C22H17N5O/c1-17-4-3-5-21(12-17)25-9-7-22(16-32-25)33-26(34)15-19-6-8-23(24(14-19)27(28,29)30)20-10-11-31-18(2)13-20;1-17-3-2-4-20(11-17)25-8-6-19(15-30-25)13-22(33)12-18-5-7-23(21-9-10-31-32-16-21)24(14-18)26(27,28)29;1-16-13-19(11-12-24-16)20-8-7-17(15-25-20)14-23(29)26-22-10-9-21(27-28-22)18-5-3-2-4-6-18;28-22(14-16-6-7-19(24-15-16)18-10-12-23-13-11-18)25-21-9-8-20(26-27-21)17-4-2-1-3-5-17/h3-14,16H,15H2,1-2H3,(H,33,34);2-11,14-16H,12-13H2,1H3;2-13,15H,14H2,1H3,(H,26,28,29);1-13,15H,14H2,(H,25,27,28)
InChIKeyGJBRCJHKTNLUCO-UHFFFAOYSA-N
MW1657.80 g/mol
LogP20.39
Rot. Bonds21

About N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide

N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (PubChem CID 158271459) has the molecular formula C98H78F6N16O4 and a molecular weight of 1657.80 g/mol. Its IUPAC name is N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
PubChem CID158271459
Molecular FormulaC98H78F6N16O4
Molecular Weight1657.80 g/mol
Exact Mass1656.63
IUPAC NameN-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)cn2)ccn1.Cc1cccc(-c2ccc(CC(=O)Cc3ccc(-c4ccnnc4)c(C(F)(F)F)c3)cn2)c1.Cc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)cn2)c1.O=C(Cc1ccc(-c2ccncc2)nc1)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C27H22F3N3O.C26H20F3N3O.C23H19N5O.C22H17N5O/c1-17-4-3-5-21(12-17)25-9-7-22(16-32-25)33-26(34)15-19-6-8-23(24(14-19)27(28,29)30)20-10-11-31-18(2)13-20;1-17-3-2-4-20(11-17)25-8-6-19(15-30-25)13-22(33)12-18-5-7-23(21-9-10-31-32-16-21)24(14-18)26(27,28)29;1-16-13-19(11-12-24-16)20-8-7-17(15-25-20)14-23(29)26-22-10-9-21(27-28-22)18-5-3-2-4-6-18;28-22(14-16-6-7-19(24-15-16)18-10-12-23-13-11-18)25-21-9-8-20(26-27-21)17-4-2-1-3-5-17/h3-14,16H,15H2,1-2H3,(H,33,34);2-11,14-16H,12-13H2,1H3;2-13,15H,14H2,1H3,(H,26,28,29);1-13,15H,14H2,(H,25,27,28)
InChIKeyGJBRCJHKTNLUCO-UHFFFAOYSA-N
XLogP20.39
TPSA271.94 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.80
LogP ≤ 520.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide with MolForge

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Related Compounds

N-(5-(pyrazin-2-yl)pyridin-2-yl)-2-(4-(pyridazin-4-yl)-3-(trifluoromethyl)phenyl)acetamide
CID 58447900
N-[5-[(6Z)-2-[5-[2-(2-fluoropent-3-en-2-yl)-4-[2-oxo-2-[(5-pyridin-2-yl-2-pyridinyl)amino]ethyl]phenyl]pyridazin-3-yl]-4,5-dihydroazocin-8-yl]-2-pyridinyl]-2-(4-pyridazin-4-ylphenyl)acetamide
CID 90875162
2-[4-[6-[6-[6-[[2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]acetyl]amino]-3-pyridinyl]-2-pyridinyl]pyridazin-4-yl]phenyl]-N-(5-pyridazin-3-yl-2-pyridinyl)acetamide
CID 90913161
2-[3-(2-fluoropent-3-en-2-yl)-4-pyridazin-4-ylphenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 91152899
2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenylpyridin-2-yl)amino]ethyl]-2-(trifluoromethyl)phenyl]pyridin-2-yl]pyridin-4-yl]phenyl]-N-(6-phenylpyridazin-3-yl)acetamide
CID 91224964
2-[4-[2-methyl-6-[6-methyl-4-[4-[2-oxo-2-[(5-phenylpyridin-2-yl)amino]ethyl]-2-(trifluoromethyl)phenyl]pyridin-2-yl]pyridin-4-yl]phenyl]-N-(5-pyridin-3-ylpyridin-2-yl)acetamide
CID 91473356
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
2-[5-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]-N-[6-[(1S,3S)-3-[6-[[2-[5-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129135426
ethane;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-3-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;molecular hydrogen
CID 144049393
ethane;[5-methyl-2-(1-methylpyrazol-3-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrazin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144903001
N-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-piperidin-1-yl-3-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyridazin-4-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyridazin-4-yl-3-pyridinyl)acetamide;2-(3-methyl-4-pyridin-4-ylphenyl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 157829070
[(2S)-4-[1-[4-(aminomethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]-2-methylpiperazin-1-yl]-(4,4-difluorocyclohexyl)methanone;N-[[4-[4-[(3S)-4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazin-1-yl]pyrido[3,4-d]pyridazin-1-yl]phenyl]methyl]acetamide
CID 157896099

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The IUPAC name of N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide (CID 158271459) is N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)nn3)cn2)ccn1.Cc1cccc(-c2ccc(CC(=O)Cc3ccc(-c4ccnnc4)c(C(F)(F)F)c3)cn2)c1.Cc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)c(C(F)(F)F)c3)cn2)c1.O=C(Cc1ccc(-c2ccncc2)nc1)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
The InChIKey is GJBRCJHKTNLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O.C26H20F3N3O.C23H19N5O.C22H17N5O/c1-17-4-3-5-21(12-17)25-9-7-22(16-32-25)33-26(34)15-19-6-8-23(24(14-19)27(28,29)30)20-10-11-31-18(2)13-20;1-17-3-2-4-20(11-17)25-8-6-19(15-30-25)13-22(33)12-18-5-7-23(21-9-10-31-32-16-21)24(14-18)26(27,28)29;1-16-13-19(11-12-24-16)20-8-7-17(15-25-20)14-23(29)26-22-10-9-21(27-28-22)18-5-3-2-4-6-18;28-22(14-16-6-7-19(24-15-16)18-10-12-23-13-11-18)25-21-9-8-20(26-27-21)17-4-2-1-3-5-17/h3-14,16H,15H2,1-2H3,(H,33,34);2-11,14-16H,12-13H2,1H3;2-13,15H,14H2,1H3,(H,26,28,29);1-13,15H,14H2,(H,25,27,28).
What are the key properties of N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide?
N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide has a molecular weight of 1657.80 g/mol, XLogP of 20.39, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylphenyl)-3-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]acetamide;1-[6-(3-methylphenyl)-3-pyridinyl]-3-[4-pyridazin-4-yl-3-(trifluoromethyl)phenyl]propan-2-one;2-[6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenylpyridazin-3-yl)acetamide;N-(6-phenylpyridazin-3-yl)-2-(6-pyridin-4-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 158271459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).