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

C23H22N4OS — CID 53149025

IUPACN-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCCCn1c(-c2cccc(C(=O)Nc3ccc(SC)cc3)c2)nc2cccnc21
InChIInChI=1S/C23H22N4OS/c1-3-14-27-21(26-20-8-5-13-24-22(20)27)16-6-4-7-17(15-16)23(28)25-18-9-11-19(29-2)12-10-18/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyLEURNCWJFBTLPI-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.48
Rot. Bonds6

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

N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (PubChem CID 53149025) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
PubChem CID53149025
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
SMILESCCCn1c(-c2cccc(C(=O)Nc3ccc(SC)cc3)c2)nc2cccnc21
InChIInChI=1S/C23H22N4OS/c1-3-14-27-21(26-20-8-5-13-24-22(20)27)16-6-4-7-17(15-16)23(28)25-18-9-11-19(29-2)12-10-18/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyLEURNCWJFBTLPI-UHFFFAOYSA-N
XLogP5.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53148980
N-[(1R)-1-phenylethyl]-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 95097061
3-(3-propylimidazo[4,5-b]pyridin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 53149051
(4-propan-2-ylpiperazin-1-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149033
[4-(3-methylphenyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149035
[4-(2-methylpropyl)piperazin-1-yl]-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)phenyl]methanone
CID 53149042
N-(4-methylsulfanylphenyl)-3-[6-(1-methylsulfonylpropyl)quinolin-8-yl]benzamide
CID 91087822
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methylphenyl)methyl]benzamide
CID 53148817
N-(4-methylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867458
3-methyl-4-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136750908
3-fluoro-2-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136789728
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide (CID 53149025) is N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is CCCn1c(-c2cccc(C(=O)Nc3ccc(SC)cc3)c2)nc2cccnc21.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
The InChIKey is LEURNCWJFBTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-3-14-27-21(26-20-8-5-13-24-22(20)27)16-6-4-7-17(15-16)23(28)25-18-9-11-19(29-2)12-10-18/h4-13,15H,3,14H2,1-2H3,(H,25,28).
What are the key properties of N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide?
N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 53149025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).