2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide

C20H30N4OS — CID 46360260

IUPAC2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C20H30N4OS/c1-15(2)10-12-21-19(25)14-26-13-18-23-17-9-6-11-22-20(17)24(18)16-7-4-3-5-8-16/h6,9,11,15-16H,3-5,7-8,10,12-14H2,1-2H3,(H,21,25)
InChIKeyNOMIXHRNXOCGIE-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.33
Rot. Bonds8

About 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide

2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide (PubChem CID 46360260) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
PubChem CID46360260
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSCc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C20H30N4OS/c1-15(2)10-12-21-19(25)14-26-13-18-23-17-9-6-11-22-20(17)24(18)16-7-4-3-5-8-16/h6,9,11,15-16H,3-5,7-8,10,12-14H2,1-2H3,(H,21,25)
InChIKeyNOMIXHRNXOCGIE-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 22582732
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
N-(3-methylbutyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867503
1-[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-methylphenyl)urea
CID 50788040
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
CID 18734099
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide (CID 46360260) is 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSCc1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
The InChIKey is NOMIXHRNXOCGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-15(2)10-12-21-19(25)14-26-13-18-23-17-9-6-11-22-20(17)24(18)16-7-4-3-5-8-16/h6,9,11,15-16H,3-5,7-8,10,12-14H2,1-2H3,(H,21,25).
What are the key properties of 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide?
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide has a molecular weight of 374.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 46360260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).