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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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).