N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide

C33H41N5O4S — CID 19754050

IUPACN-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCCC)cc1
InChIInChI=1S/C33H41N5O4S/c1-4-7-14-30-36-28-21-26(35-31(39)15-8-5-2)22-34-33(28)38(30)23-24-17-19-25(20-18-24)27-12-10-11-13-29(27)43(41,42)37-32(40)16-9-6-3/h10-13,17-22H,4-9,14-16,23H2,1-3H3,(H,35,39)(H,37,40)
InChIKeyVTYQUMYAMNOMEY-UHFFFAOYSA-N
MW603.79 g/mol
LogP6.61
Rot. Bonds15

About N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide

N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide (PubChem CID 19754050) has the molecular formula C33H41N5O4S and a molecular weight of 603.79 g/mol. Its IUPAC name is N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide.

Molecular Properties

Compound NameN-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
PubChem CID19754050
Molecular FormulaC33H41N5O4S
Molecular Weight603.79 g/mol
Exact Mass603.29
IUPAC NameN-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide
SMILESCCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCCC)cc1
InChIInChI=1S/C33H41N5O4S/c1-4-7-14-30-36-28-21-26(35-31(39)15-8-5-2)22-34-33(28)38(30)23-24-17-19-25(20-18-24)27-12-10-11-13-29(27)43(41,42)37-32(40)16-9-6-3/h10-13,17-22H,4-9,14-16,23H2,1-3H3,(H,35,39)(H,37,40)
InChIKeyVTYQUMYAMNOMEY-UHFFFAOYSA-N
XLogP6.61
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.79
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The IUPAC name of N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide (CID 19754050) is N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide.
What is the SMILES notation for N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The canonical SMILES for N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide is CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCCC)cc1.
What is the InChIKey of N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
The InChIKey is VTYQUMYAMNOMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O4S/c1-4-7-14-30-36-28-21-26(35-31(39)15-8-5-2)22-34-33(28)38(30)23-24-17-19-25(20-18-24)27-12-10-11-13-29(27)43(41,42)37-32(40)16-9-6-3/h10-13,17-22H,4-9,14-16,23H2,1-3H3,(H,35,39)(H,37,40).
What are the key properties of N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide?
N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide has a molecular weight of 603.79 g/mol, XLogP of 6.61, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-3-[[4-[2-(pentanoylsulfamoyl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pentanamide is sourced from PubChem (CID 19754050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).