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

C20H21Cl2N5O — CID 45138122

IUPACN-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCCCC3)ncc21
InChIInChI=1S/C20H21Cl2N5O/c1-27-17-11-23-16(19(28)24-12-6-3-2-4-7-12)10-15(17)25-20(27)26-18-13(21)8-5-9-14(18)22/h5,8-12H,2-4,6-7H2,1H3,(H,24,28)(H,25,26)
InChIKeyUJRVAGLSFTZVJU-UHFFFAOYSA-N
MW418.33 g/mol
LogP5.08
Rot. Bonds4

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

N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 45138122) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID45138122
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC NameN-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCCCC3)ncc21
InChIInChI=1S/C20H21Cl2N5O/c1-27-17-11-23-16(19(28)24-12-6-3-2-4-7-12)10-15(17)25-20(27)26-18-13(21)8-5-9-14(18)22/h5,8-12H,2-4,6-7H2,1H3,(H,24,28)(H,25,26)
InChIKeyUJRVAGLSFTZVJU-UHFFFAOYSA-N
XLogP5.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluoroanilino)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 45137819
N-cyclopropyl-5-(2,6-dichloroanilino)pyrazine-2-carboxamide
CID 109271734
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclohexyl-2-(2,6-dichloroanilino)-N,3-dimethylimidazo[4,5-b]pyridine-6-carboxamide
CID 143962077
6-(3-azabicyclo[3.1.0]hexan-3-yl)-N-cyclohexyl-2-[2,6-dichloro-3-[[(1-methylcyclobutanecarbonyl)amino]methyl]anilino]-1-methylbenzimidazole-5-carboxamide
CID 123807816
2-N-cyclohexyl-4-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081638
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 45138122) is N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)NC3CCCCC3)ncc21.
What is the InChIKey of N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is UJRVAGLSFTZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O/c1-27-17-11-23-16(19(28)24-12-6-3-2-4-7-12)10-15(17)25-20(27)26-18-13(21)8-5-9-14(18)22/h5,8-12H,2-4,6-7H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 418.33 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,6-dichloroanilino)-3-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 45138122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).