N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide

C23H18F3N3O3 — CID 177182216

IUPACN-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(c2ccc(OC)cc2)c2cc(C(F)(F)F)cnc2C#N)cc1
InChIInChI=1S/C23H18F3N3O3/c1-31-18-7-3-15(4-8-18)11-22(30)29(17-5-9-19(32-2)10-6-17)21-12-16(23(24,25)26)14-28-20(21)13-27/h3-10,12,14H,11H2,1-2H3
InChIKeyXHCAHGFCIYRQBF-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.90
Rot. Bonds6

About N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide

N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide (PubChem CID 177182216) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide
PubChem CID177182216
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(c2ccc(OC)cc2)c2cc(C(F)(F)F)cnc2C#N)cc1
InChIInChI=1S/C23H18F3N3O3/c1-31-18-7-3-15(4-8-18)11-22(30)29(17-5-9-19(32-2)10-6-17)21-12-16(23(24,25)26)14-28-20(21)13-27/h3-10,12,14H,11H2,1-2H3
InChIKeyXHCAHGFCIYRQBF-UHFFFAOYSA-N
XLogP4.90
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide (CID 177182216) is N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N(c2ccc(OC)cc2)c2cc(C(F)(F)F)cnc2C#N)cc1.
What is the InChIKey of N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide?
The InChIKey is XHCAHGFCIYRQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-31-18-7-3-15(4-8-18)11-22(30)29(17-5-9-19(32-2)10-6-17)21-12-16(23(24,25)26)14-28-20(21)13-27/h3-10,12,14H,11H2,1-2H3.
What are the key properties of N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide?
N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 441.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-5-(trifluoromethyl)-3-pyridinyl]-N,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 177182216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).