N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide

C21H23Cl2N5O — CID 143962077

IUPACN-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C)C1CCCCC1
InChIInChI=1S/C21H23Cl2N5O/c1-27(14-7-4-3-5-8-14)20(29)13-11-17-19(24-12-13)28(2)21(25-17)26-18-15(22)9-6-10-16(18)23/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,25,26)
InChIKeySDTUPKNWSMEUEB-UHFFFAOYSA-N
MW432.36 g/mol
LogP5.42
Rot. Bonds4

About N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide

N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 143962077) has the molecular formula C21H23Cl2N5O and a molecular weight of 432.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID143962077
Molecular FormulaC21H23Cl2N5O
Molecular Weight432.36 g/mol
Exact Mass431.13
IUPAC NameN-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C)C1CCCCC1
InChIInChI=1S/C21H23Cl2N5O/c1-27(14-7-4-3-5-8-14)20(29)13-11-17-19(24-12-13)28(2)21(25-17)26-18-15(22)9-6-10-16(18)23/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,25,26)
InChIKeySDTUPKNWSMEUEB-UHFFFAOYSA-N
XLogP5.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

CID 89078169
CID 89078169
2-(2,6-dichloroanilino)-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 45138442
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
CID 45138122
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
CID 58211585
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-cyclohexyl-5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-methylpyridine-3-carboxamide
CID 58210963
2-(2-chlorophenyl)-N-ethyl-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70735389
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
2-(2-chlorophenyl)-N-(cyclopropylmethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 70783723
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide (CID 143962077) is N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is CN(C(=O)c1cnc2c(c1)nc(Nc1c(Cl)cccc1Cl)n2C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is SDTUPKNWSMEUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O/c1-27(14-7-4-3-5-8-14)20(29)13-11-17-19(24-12-13)28(2)21(25-17)26-18-15(22)9-6-10-16(18)23/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,25,26).
What are the key properties of N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide?
N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 143962077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).