N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide

C19H19F3N4O2 — CID 121416804

IUPACN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-3-26(11-10-25(2)17-12-14(13-23)8-9-24-17)18(27)15-6-4-5-7-16(15)28-19(20,21)22/h4-9,12H,3,10-11H2,1-2H3
InChIKeyKPYXHCOPWPRIJT-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.45
Rot. Bonds7

About N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide

N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide (PubChem CID 121416804) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
PubChem CID121416804
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-3-26(11-10-25(2)17-12-14(13-23)8-9-24-17)18(27)15-6-4-5-7-16(15)28-19(20,21)22/h4-9,12H,3,10-11H2,1-2H3
InChIKeyKPYXHCOPWPRIJT-UHFFFAOYSA-N
XLogP3.45
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide (CID 121416804) is N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide is CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide?
The InChIKey is KPYXHCOPWPRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-3-26(11-10-25(2)17-12-14(13-23)8-9-24-17)18(27)15-6-4-5-7-16(15)28-19(20,21)22/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide?
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121416804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).