N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide

C132H150F2N14O7 — CID 158020826

IUPACN-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncn2)cc1.Cc1cc(C)nc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.Cc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.Cc1ccnc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22F2N2O.C20H24N2O.2C19H22N2O.C19H21NO.C18H20N2O.C17H19N3O/c1-19(2,3)12-11-14-5-7-15(8-6-14)18(25)24-17-10-9-16(13-23-17)20(4,21)22;1-14-12-15(2)21-18(13-14)22-19(23)17-8-6-16(7-9-17)10-11-20(3,4)5;1-14-10-12-20-17(13-14)21-18(22)16-7-5-15(6-8-16)9-11-19(2,3)4;1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4;1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17;1-18(2,3)11-8-14-4-6-15(7-5-14)17(21)20-16-9-12-19-13-10-16;1-17(2,3)10-8-13-4-6-14(7-5-13)16(21)20-15-9-11-18-12-19-15/h5-13H,1-4H3,(H,23,24,25);6-13H,1-5H3,(H,21,22,23);2*5-13H,1-4H3,(H,20,21,22);4-14H,1-3H3,(H,20,21);4-13H,1-3H3,(H,19,20,21);4-12H,1-3H3,(H,18,19,20,21)/b12-11+;11-10+;11-9+;12-11+;14-13+;11-8+;10-8+
InChIKeyFGASMEGWLRFMNT-VTWKZLCVSA-N
MW2082.74 g/mol
LogP33.10
Rot. Bonds22

About N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide

N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide (PubChem CID 158020826) has the molecular formula C132H150F2N14O7 and a molecular weight of 2082.74 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide
PubChem CID158020826
Molecular FormulaC132H150F2N14O7
Molecular Weight2082.74 g/mol
Exact Mass2081.18
IUPAC NameN-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide
SMILESCC(C)(C)/C=C/c1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncn2)cc1.Cc1cc(C)nc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.Cc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.Cc1ccnc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1
InChIInChI=1S/C20H22F2N2O.C20H24N2O.2C19H22N2O.C19H21NO.C18H20N2O.C17H19N3O/c1-19(2,3)12-11-14-5-7-15(8-6-14)18(25)24-17-10-9-16(13-23-17)20(4,21)22;1-14-12-15(2)21-18(13-14)22-19(23)17-8-6-16(7-9-17)10-11-20(3,4)5;1-14-10-12-20-17(13-14)21-18(22)16-7-5-15(6-8-16)9-11-19(2,3)4;1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4;1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17;1-18(2,3)11-8-14-4-6-15(7-5-14)17(21)20-16-9-12-19-13-10-16;1-17(2,3)10-8-13-4-6-14(7-5-13)16(21)20-15-9-11-18-12-19-15/h5-13H,1-4H3,(H,23,24,25);6-13H,1-5H3,(H,21,22,23);2*5-13H,1-4H3,(H,20,21,22);4-14H,1-3H3,(H,20,21);4-13H,1-3H3,(H,19,20,21);4-12H,1-3H3,(H,18,19,20,21)/b12-11+;11-10+;11-9+;12-11+;14-13+;11-8+;10-8+
InChIKeyFGASMEGWLRFMNT-VTWKZLCVSA-N
XLogP33.10
TPSA293.93 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.74
LogP ≤ 533.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide with MolForge

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Related Compounds

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N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
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N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
N-[3-[7-[[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 137348835
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
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4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
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4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 11648060
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
CID 11678175
N-(2-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A6)
CID 76401486
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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide (CID 158020826) is N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide is CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncc2)cc1.CC(C)(C)/C=C/c1ccc(C(=O)Nc2ccncn2)cc1.Cc1cc(C)nc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.Cc1cccnc1NC(=O)c1ccc(/C=C/C(C)(C)C)cc1.Cc1ccnc(NC(=O)c2ccc(/C=C/C(C)(C)C)cc2)c1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide?
The InChIKey is FGASMEGWLRFMNT-VTWKZLCVSA-N. The full InChI is InChI=1S/C20H22F2N2O.C20H24N2O.2C19H22N2O.C19H21NO.C18H20N2O.C17H19N3O/c1-19(2,3)12-11-14-5-7-15(8-6-14)18(25)24-17-10-9-16(13-23-17)20(4,21)22;1-14-12-15(2)21-18(13-14)22-19(23)17-8-6-16(7-9-17)10-11-20(3,4)5;1-14-10-12-20-17(13-14)21-18(22)16-7-5-15(6-8-16)9-11-19(2,3)4;1-14-6-5-13-20-17(14)21-18(22)16-9-7-15(8-10-16)11-12-19(2,3)4;1-19(2,3)14-13-15-9-11-16(12-10-15)18(21)20-17-7-5-4-6-8-17;1-18(2,3)11-8-14-4-6-15(7-5-14)17(21)20-16-9-12-19-13-10-16;1-17(2,3)10-8-13-4-6-14(7-5-13)16(21)20-15-9-11-18-12-19-15/h5-13H,1-4H3,(H,23,24,25);6-13H,1-5H3,(H,21,22,23);2*5-13H,1-4H3,(H,20,21,22);4-14H,1-3H3,(H,20,21);4-13H,1-3H3,(H,19,20,21);4-12H,1-3H3,(H,18,19,20,21)/b12-11+;11-10+;11-9+;12-11+;14-13+;11-8+;10-8+.
What are the key properties of N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide?
N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide has a molecular weight of 2082.74 g/mol, XLogP of 33.10, 22 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4,6-dimethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(3-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-phenylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyridin-4-ylbenzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 158020826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).