N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide

C21H21F3N6O2 — CID 46842747

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N6O2/c1-26-11-19(31)29(2)6-7-32-18-5-4-13(8-14(18)21(22,23)24)15-9-17-20(16(10-25)28-15)27-12-30(17)3/h4-5,8-9,12,26H,6-7,11H2,1-3H3
InChIKeyGHHFUVNFZMZWMT-UHFFFAOYSA-N
MW446.43 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 46842747) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide
PubChem CID46842747
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N6O2/c1-26-11-19(31)29(2)6-7-32-18-5-4-13(8-14(18)21(22,23)24)15-9-17-20(16(10-25)28-15)27-12-30(17)3/h4-5,8-9,12,26H,6-7,11H2,1-3H3
InChIKeyGHHFUVNFZMZWMT-UHFFFAOYSA-N
XLogP2.58
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-Ethoxy-3-(trifluoromethyl)phenyl)-3H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 16662142
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747162
1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747164
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747165
1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747166
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204268
1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204335
6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204336
1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204403
1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842579
2-(4-(2-(4-(4-cyano-1-methyl-1H-imidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy)ethyl)piperidin-1-yl)-N,N-dimethylacetamide
CID 46842582
1-Methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1h-imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842626

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide (CID 46842747) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is GHHFUVNFZMZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-26-11-19(31)29(2)6-7-32-18-5-4-13(8-14(18)21(22,23)24)15-9-17-20(16(10-25)28-15)27-12-30(17)3/h4-5,8-9,12,26H,6-7,11H2,1-3H3.
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 446.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 46842747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).