3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide

C26H28N4O — CID 53149051

IUPAC3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
SMILESCCCn1c(-c2cccc(C(=O)NCc3c(C)cc(C)cc3C)c2)nc2cccnc21
InChIInChI=1S/C26H28N4O/c1-5-12-30-24(29-23-10-7-11-27-25(23)30)20-8-6-9-21(15-20)26(31)28-16-22-18(3)13-17(2)14-19(22)4/h6-11,13-15H,5,12,16H2,1-4H3,(H,28,31)
InChIKeyMHKOJSOIEOFCDB-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.36
Rot. Bonds6

About 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide

3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide (PubChem CID 53149051) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
PubChem CID53149051
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
SMILESCCCn1c(-c2cccc(C(=O)NCc3c(C)cc(C)cc3C)c2)nc2cccnc21
InChIInChI=1S/C26H28N4O/c1-5-12-30-24(29-23-10-7-11-27-25(23)30)20-8-6-9-21(15-20)26(31)28-16-22-18(3)13-17(2)14-19(22)4/h6-11,13-15H,5,12,16H2,1-4H3,(H,28,31)
InChIKeyMHKOJSOIEOFCDB-UHFFFAOYSA-N
XLogP5.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53149037
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 95097061
N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53149025
N-(3-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53148980
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149035
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53148873
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95097052
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
2,4-dimethyl-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842715

Frequently Asked Questions

What is the IUPAC name of 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The IUPAC name of 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide (CID 53149051) is 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The canonical SMILES for 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide is CCCn1c(-c2cccc(C(=O)NCc3c(C)cc(C)cc3C)c2)nc2cccnc21.
What is the InChIKey of 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
The InChIKey is MHKOJSOIEOFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-5-12-30-24(29-23-10-7-11-27-25(23)30)20-8-6-9-21(15-20)26(31)28-16-22-18(3)13-17(2)14-19(22)4/h6-11,13-15H,5,12,16H2,1-4H3,(H,28,31).
What are the key properties of 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide?
3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide has a molecular weight of 412.54 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide is sourced from PubChem (CID 53149051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).