N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide

C135H143BrCl2F2N14O8 — CID 158140902

IUPACN-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCN(C)CC2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.COc1ccc(NC(=O)c2ccc(C#CC(C)(C)C)cc2)cn1.Cn1ccc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3)ccc21
InChIInChI=1S/C22H22N2O.C20H20F2N2O.C20H30N2O.C19H20N2O2.C18H17BrN2O.2C18H17ClN2O/c1-22(2,3)13-11-16-5-7-17(8-6-16)21(25)23-19-9-10-20-18(15-19)12-14-24(20)4;1-19(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;1-15(14-20(2,3)4)16-6-8-17(9-7-16)19(23)21-18-10-12-22(5)13-11-18;1-19(2,3)12-11-14-5-7-15(8-6-14)18(22)21-16-9-10-17(23-4)20-13-16;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-16-9-8-15(19)12-20-16;1-18(2,3)10-8-13-4-6-14(7-5-13)17(22)21-15-9-11-20-16(19)12-15;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-15-8-9-16(19)20-12-15/h5-10,12,14-15H,1-4H3,(H,23,25);5-10,13H,1-4H3,(H,23,24,25);6-9,14,18H,10-13H2,1-5H3,(H,21,23);5-10,13H,1-4H3,(H,21,22);4-9,12H,1-3H3,(H,20,21,22);4-7,9,11-12H,1-3H3,(H,20,21,22);4-9,12H,1-3H3,(H,21,22)/b;;15-14+;;;;
InChIKeyFTXRBBWRKUSRNF-YHOZKRMJSA-N
MW2278.52 g/mol
LogP30.64
Rot. Bonds17

About N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide

N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 158140902) has the molecular formula C135H143BrCl2F2N14O8 and a molecular weight of 2278.52 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID158140902
Molecular FormulaC135H143BrCl2F2N14O8
Molecular Weight2278.52 g/mol
Exact Mass2274.97
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESC/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCN(C)CC2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.COc1ccc(NC(=O)c2ccc(C#CC(C)(C)C)cc2)cn1.Cn1ccc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3)ccc21
InChIInChI=1S/C22H22N2O.C20H20F2N2O.C20H30N2O.C19H20N2O2.C18H17BrN2O.2C18H17ClN2O/c1-22(2,3)13-11-16-5-7-17(8-6-16)21(25)23-19-9-10-20-18(15-19)12-14-24(20)4;1-19(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;1-15(14-20(2,3)4)16-6-8-17(9-7-16)19(23)21-18-10-12-22(5)13-11-18;1-19(2,3)12-11-14-5-7-15(8-6-14)18(22)21-16-9-10-17(23-4)20-13-16;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-16-9-8-15(19)12-20-16;1-18(2,3)10-8-13-4-6-14(7-5-13)17(22)21-15-9-11-20-16(19)12-15;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-15-8-9-16(19)20-12-15/h5-10,12,14-15H,1-4H3,(H,23,25);5-10,13H,1-4H3,(H,23,24,25);6-9,14,18H,10-13H2,1-5H3,(H,21,23);5-10,13H,1-4H3,(H,21,22);4-9,12H,1-3H3,(H,20,21,22);4-7,9,11-12H,1-3H3,(H,20,21,22);4-9,12H,1-3H3,(H,21,22)/b;;15-14+;;;;
InChIKeyFTXRBBWRKUSRNF-YHOZKRMJSA-N
XLogP30.64
TPSA285.55 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.52
LogP ≤ 530.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;N-(6-chloro-3-pyridinyl)-4-[(E)-3,3-dimethylbut-1-enyl]benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(2,6-dimethylpyrimidin-4-yl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(4-ethyl-2-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-(6-methoxy-3-pyridinyl)benzamide;4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]benzamide;4-[(E)-3-methylbut-1-enyl]-N-pyridin-4-ylbenzamide
CID 160837883
CID 161802664
CID 161802664

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 158140902) is N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide is C/C(=C\C(C)(C)C)c1ccc(C(=O)NC2CCN(C)CC2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Br)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(C(C)(F)F)cn2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.CC(C)(C)C#Cc1ccc(C(=O)Nc2ccnc(Cl)c2)cc1.COc1ccc(NC(=O)c2ccc(C#CC(C)(C)C)cc2)cn1.Cn1ccc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3)ccc21.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FTXRBBWRKUSRNF-YHOZKRMJSA-N. The full InChI is InChI=1S/C22H22N2O.C20H20F2N2O.C20H30N2O.C19H20N2O2.C18H17BrN2O.2C18H17ClN2O/c1-22(2,3)13-11-16-5-7-17(8-6-16)21(25)23-19-9-10-20-18(15-19)12-14-24(20)4;1-19(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;1-15(14-20(2,3)4)16-6-8-17(9-7-16)19(23)21-18-10-12-22(5)13-11-18;1-19(2,3)12-11-14-5-7-15(8-6-14)18(22)21-16-9-10-17(23-4)20-13-16;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-16-9-8-15(19)12-20-16;1-18(2,3)10-8-13-4-6-14(7-5-13)17(22)21-15-9-11-20-16(19)12-15;1-18(2,3)11-10-13-4-6-14(7-5-13)17(22)21-15-8-9-16(19)20-12-15/h5-10,12,14-15H,1-4H3,(H,23,25);5-10,13H,1-4H3,(H,23,24,25);6-9,14,18H,10-13H2,1-5H3,(H,21,23);5-10,13H,1-4H3,(H,21,22);4-9,12H,1-3H3,(H,20,21,22);4-7,9,11-12H,1-3H3,(H,20,21,22);4-9,12H,1-3H3,(H,21,22)/b;;15-14+;;;;.
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide?
N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 2278.52 g/mol, XLogP of 30.64, 17 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(2-chloro-4-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-(6-chloro-3-pyridinyl)-4-(3,3-dimethylbut-1-ynyl)benzamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-4-(3,3-dimethylbut-1-ynyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(6-methoxy-3-pyridinyl)benzamide;4-(3,3-dimethylbut-1-ynyl)-N-(1-methylindol-5-yl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 158140902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).