N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide

C25H25BrN4O — CID 3197690

IUPACN-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C25H25BrN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeyHGDIYOYGSZFWFU-UHFFFAOYSA-N
MW477.41 g/mol
LogP6.15
Rot. Bonds7

About N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide

N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide (PubChem CID 3197690) has the molecular formula C25H25BrN4O and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
PubChem CID3197690
Molecular FormulaC25H25BrN4O
Molecular Weight477.41 g/mol
Exact Mass476.12
IUPAC NameN-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C25H25BrN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeyHGDIYOYGSZFWFU-UHFFFAOYSA-N
XLogP6.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The IUPAC name of N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide (CID 3197690) is N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The canonical SMILES for N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide is CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
The InChIKey is HGDIYOYGSZFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-8-6-5-7-9-19)17(2)27-24(22)30(23)16-18-11-13-20(26)14-12-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31).
What are the key properties of N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide?
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide has a molecular weight of 477.41 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide is sourced from PubChem (CID 3197690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).