N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H14F3N3O3 — CID 38846442

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-4-5-14(23)22(9-12)11-15(24)21(7-2-6-20)10-13-3-1-8-25-13/h1,3-5,8-9H,2,7,10-11H2
InChIKeyZKMFQQPTGJOEGL-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.40
Rot. Bonds6

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 38846442) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID38846442
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H14F3N3O3/c17-16(18,19)12-4-5-14(23)22(9-12)11-15(24)21(7-2-6-20)10-13-3-1-8-25-13/h1,3-5,8-9H,2,7,10-11H2
InChIKeyZKMFQQPTGJOEGL-UHFFFAOYSA-N
XLogP2.40
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 38846442) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is N#CCCN(Cc1ccco1)C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZKMFQQPTGJOEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c17-16(18,19)12-4-5-14(23)22(9-12)11-15(24)21(7-2-6-20)10-13-3-1-8-25-13/h1,3-5,8-9H,2,7,10-11H2.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 38846442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).