N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate

C132H151F3N12O9 — CID 159410944

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2ccccn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cncc3ccccc23)cc1.COC(=O)c1cncc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)c1.COc1cccc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/2C24H26N2O.C22H26N2O3.C21H23F3N2O.C21H26N2O2.C20H24N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20;1-24(2)13-5-7-20(24)15-26-23(27)18-11-9-17(10-12-18)22-16-25-14-19-6-3-4-8-21(19)22;1-22(2)10-4-5-19(22)14-24-20(25)16-8-6-15(7-9-16)17-11-18(13-23-12-17)21(26)27-3;1-20(2)11-3-4-16(20)12-26-19(27)15-7-5-14(6-8-15)18-10-9-17(13-25-18)21(22,23)24;1-21(2)13-5-6-17(21)14-22-20(24)16-11-9-15(10-12-16)18-7-4-8-19(23-18)25-3;1-20(2)12-5-6-17(20)14-22-19(23)16-10-8-15(9-11-16)18-7-3-4-13-21-18/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27);3-4,6,8-12,14,16,20H,5,7,13,15H2,1-2H3,(H,26,27);6-9,11-13,19H,4-5,10,14H2,1-3H3,(H,24,25);5-10,13,16H,3-4,11-12H2,1-2H3,(H,26,27);4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24);3-4,7-11,13,17H,5-6,12,14H2,1-2H3,(H,22,23)
InChIKeyLOOMUNFBCQSJFH-UHFFFAOYSA-N
MW2106.73 g/mol
LogP28.95
Rot. Bonds26

About N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate

N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate (PubChem CID 159410944) has the molecular formula C132H151F3N12O9 and a molecular weight of 2106.73 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate
PubChem CID159410944
Molecular FormulaC132H151F3N12O9
Molecular Weight2106.73 g/mol
Exact Mass2105.17
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2ccccn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cncc3ccccc23)cc1.COC(=O)c1cncc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)c1.COc1cccc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1
InChIInChI=1S/2C24H26N2O.C22H26N2O3.C21H23F3N2O.C21H26N2O2.C20H24N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20;1-24(2)13-5-7-20(24)15-26-23(27)18-11-9-17(10-12-18)22-16-25-14-19-6-3-4-8-21(19)22;1-22(2)10-4-5-19(22)14-24-20(25)16-8-6-15(7-9-16)17-11-18(13-23-12-17)21(26)27-3;1-20(2)11-3-4-16(20)12-26-19(27)15-7-5-14(6-8-15)18-10-9-17(13-25-18)21(22,23)24;1-21(2)13-5-6-17(21)14-22-20(24)16-11-9-15(10-12-16)18-7-4-8-19(23-18)25-3;1-20(2)12-5-6-17(20)14-22-19(23)16-10-8-15(9-11-16)18-7-3-4-13-21-18/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27);3-4,6,8-12,14,16,20H,5,7,13,15H2,1-2H3,(H,26,27);6-9,11-13,19H,4-5,10,14H2,1-3H3,(H,24,25);5-10,13,16H,3-4,11-12H2,1-2H3,(H,26,27);4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24);3-4,7-11,13,17H,5-6,12,14H2,1-2H3,(H,22,23)
InChIKeyLOOMUNFBCQSJFH-UHFFFAOYSA-N
XLogP28.95
TPSA287.47 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002106.73
LogP ≤ 528.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate with MolForge

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Related Compounds

N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
CID 21361573
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 158353783
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
3-[4-[7-tert-butyl-3-(4-pyridin-2-ylphenyl)pyren-1-yl]phenyl]quinoline
CID 58028892
3-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]quinoline;4,6-di(phenanthren-9-yl)-2-(4-phenylphenyl)pyrimidine;2-[4-[2-naphthalen-1-yl-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 158905185
N-ethyl-6-quinolin-6-ylpyridine-3-carboxamide
CID 50955108
3-(4-naphthalen-1-ylphenyl)-7-[4-[4-(trifluoromethyl)phenyl]phenyl]quinoline
CID 169293894
5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117088284
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001
7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293936

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate (CID 159410944) is N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate is CC1(C)CCCC1CNC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2ccccn2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.CC1(C)CCCC1CNC(=O)c1ccc(-c2cncc3ccccc23)cc1.COC(=O)c1cncc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)c1.COc1cccc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)n1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate?
The InChIKey is LOOMUNFBCQSJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H26N2O.C22H26N2O3.C21H23F3N2O.C21H26N2O2.C20H24N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20;1-24(2)13-5-7-20(24)15-26-23(27)18-11-9-17(10-12-18)22-16-25-14-19-6-3-4-8-21(19)22;1-22(2)10-4-5-19(22)14-24-20(25)16-8-6-15(7-9-16)17-11-18(13-23-12-17)21(26)27-3;1-20(2)11-3-4-16(20)12-26-19(27)15-7-5-14(6-8-15)18-10-9-17(13-25-18)21(22,23)24;1-21(2)13-5-6-17(21)14-22-20(24)16-11-9-15(10-12-16)18-7-4-8-19(23-18)25-3;1-20(2)12-5-6-17(20)14-22-19(23)16-10-8-15(9-11-16)18-7-3-4-13-21-18/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27);3-4,6,8-12,14,16,20H,5,7,13,15H2,1-2H3,(H,26,27);6-9,11-13,19H,4-5,10,14H2,1-3H3,(H,24,25);5-10,13,16H,3-4,11-12H2,1-2H3,(H,26,27);4,7-12,17H,5-6,13-14H2,1-3H3,(H,22,24);3-4,7-11,13,17H,5-6,12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate?
N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate has a molecular weight of 2106.73 g/mol, XLogP of 28.95, 26 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-isoquinolin-4-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-(6-methoxy-2-pyridinyl)benzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-pyridin-2-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide;N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]benzamide;methyl 5-[4-[(2,2-dimethylcyclopentyl)methylcarbamoyl]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 159410944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).