3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide

C92H113Br2IN16O4 — CID 157230866

IUPAC3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCn1c(CN(C)C(=O)c2cccc(Br)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21
InChIInChI=1S/C29H40N4O.C23H27IN4O.C22H27BrN4O.C18H19BrN4O/c1-4-5-6-7-11-23-15-17-24(18-16-23)29(34)32(20-22(2)3)21-27-31-26-14-10-19-30-28(26)33(27)25-12-8-9-13-25;1-2-3-15-27(23(29)17-10-12-18(24)13-11-17)16-21-26-20-9-6-14-25-22(20)28(21)19-7-4-5-8-19;1-4-12-27-20(25-19-9-6-11-24-21(19)27)15-26(13-10-16(2)3)22(28)17-7-5-8-18(23)14-17;1-3-10-23-16(21-15-8-5-9-20-17(15)23)12-22(2)18(24)13-6-4-7-14(19)11-13/h10,14-19,22,25H,4-9,11-13,20-21H2,1-3H3;6,9-14,19H,2-5,7-8,15-16H2,1H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;4-9,11H,3,10,12H2,1-2H3
InChIKeyAUBTZOIOLVMVOA-UHFFFAOYSA-N
MW1793.74 g/mol
LogP21.73
Rot. Bonds31

About 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide

3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide (PubChem CID 157230866) has the molecular formula C92H113Br2IN16O4 and a molecular weight of 1793.74 g/mol. Its IUPAC name is 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
PubChem CID157230866
Molecular FormulaC92H113Br2IN16O4
Molecular Weight1793.74 g/mol
Exact Mass1790.65
IUPAC Name3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
SMILESCCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCn1c(CN(C)C(=O)c2cccc(Br)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21
InChIInChI=1S/C29H40N4O.C23H27IN4O.C22H27BrN4O.C18H19BrN4O/c1-4-5-6-7-11-23-15-17-24(18-16-23)29(34)32(20-22(2)3)21-27-31-26-14-10-19-30-28(26)33(27)25-12-8-9-13-25;1-2-3-15-27(23(29)17-10-12-18(24)13-11-17)16-21-26-20-9-6-14-25-22(20)28(21)19-7-4-5-8-19;1-4-12-27-20(25-19-9-6-11-24-21(19)27)15-26(13-10-16(2)3)22(28)17-7-5-8-18(23)14-17;1-3-10-23-16(21-15-8-5-9-20-17(15)23)12-22(2)18(24)13-6-4-7-14(19)11-13/h10,14-19,22,25H,4-9,11-13,20-21H2,1-3H3;6,9-14,19H,2-5,7-8,15-16H2,1H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;4-9,11H,3,10,12H2,1-2H3
InChIKeyAUBTZOIOLVMVOA-UHFFFAOYSA-N
XLogP21.73
TPSA204.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.74
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluorobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methoxy-N-(2-methylpropyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-methylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;2-fluoro-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159885764
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732857
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
N-butyl-3-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 161138810
2-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2-methyl-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 160955785
3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
CID 18734099
3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732890
4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734650

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide (CID 157230866) is 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide is CCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCn1c(CN(C)C(=O)c2cccc(Br)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21.
What is the InChIKey of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide?
The InChIKey is AUBTZOIOLVMVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O.C23H27IN4O.C22H27BrN4O.C18H19BrN4O/c1-4-5-6-7-11-23-15-17-24(18-16-23)29(34)32(20-22(2)3)21-27-31-26-14-10-19-30-28(26)33(27)25-12-8-9-13-25;1-2-3-15-27(23(29)17-10-12-18(24)13-11-17)16-21-26-20-9-6-14-25-22(20)28(21)19-7-4-5-8-19;1-4-12-27-20(25-19-9-6-11-24-21(19)27)15-26(13-10-16(2)3)22(28)17-7-5-8-18(23)14-17;1-3-10-23-16(21-15-8-5-9-20-17(15)23)12-22(2)18(24)13-6-4-7-14(19)11-13/h10,14-19,22,25H,4-9,11-13,20-21H2,1-3H3;6,9-14,19H,2-5,7-8,15-16H2,1H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;4-9,11H,3,10,12H2,1-2H3.
What are the key properties of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide?
3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide has a molecular weight of 1793.74 g/mol, XLogP of 21.73, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 157230866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).