N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride

C22H27ClN4O — CID 158482261

IUPACN-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N(C1CCCCC1)n1c(-c2ccccc2C)nc2c(C)ccnc21.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-15-9-7-8-12-19(15)21-24-20-16(2)13-14-23-22(20)26(21)25(17(3)27)18-10-5-4-6-11-18;/h7-9,12-14,18H,4-6,10-11H2,1-3H3;1H
InChIKeyOJZOQOSOABHVFJ-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.95
Rot. Bonds3

About N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride

N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride (PubChem CID 158482261) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride
PubChem CID158482261
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N(C1CCCCC1)n1c(-c2ccccc2C)nc2c(C)ccnc21.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-15-9-7-8-12-19(15)21-24-20-16(2)13-14-23-22(20)26(21)25(17(3)27)18-10-5-4-6-11-18;/h7-9,12-14,18H,4-6,10-11H2,1-3H3;1H
InChIKeyOJZOQOSOABHVFJ-UHFFFAOYSA-N
XLogP4.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride (CID 158482261) is N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride is CC(=O)N(C1CCCCC1)n1c(-c2ccccc2C)nc2c(C)ccnc21.Cl.
What is the InChIKey of N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride?
The InChIKey is OJZOQOSOABHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-15-9-7-8-12-19(15)21-24-20-16(2)13-14-23-22(20)26(21)25(17(3)27)18-10-5-4-6-11-18;/h7-9,12-14,18H,4-6,10-11H2,1-3H3;1H.
What are the key properties of N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride?
N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 158482261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).