N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

C24H30N4OS — CID 15945489

IUPACN-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21
InChIInChI=1S/C24H30N4OS/c1-3-21(23(29)26-19-10-5-4-6-11-19)28-22-15-25-13-12-20(22)27-24(28)30-16-18-9-7-8-17(2)14-18/h7-9,12-15,19,21H,3-6,10-11,16H2,1-2H3,(H,26,29)
InChIKeySLEAQGWOIZLJMP-UHFFFAOYSA-N
MW422.60 g/mol
LogP5.43
Rot. Bonds7

About N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 15945489) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID15945489
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC NameN-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21
InChIInChI=1S/C24H30N4OS/c1-3-21(23(29)26-19-10-5-4-6-11-19)28-22-15-25-13-12-20(22)27-24(28)30-16-18-9-7-8-17(2)14-18/h7-9,12-15,19,21H,3-6,10-11,16H2,1-2H3,(H,26,29)
InChIKeySLEAQGWOIZLJMP-UHFFFAOYSA-N
XLogP5.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 15945489) is N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21.
What is the InChIKey of N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is SLEAQGWOIZLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-3-21(23(29)26-19-10-5-4-6-11-19)28-22-15-25-13-12-20(22)27-24(28)30-16-18-9-7-8-17(2)14-18/h7-9,12-15,19,21H,3-6,10-11,16H2,1-2H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide has a molecular weight of 422.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 15945489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).