N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C17H14F3N3O2 — CID 39861104

IUPACN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H14F3N3O2/c1-22(9-13-4-2-12(8-21)3-5-13)16(25)11-23-10-14(17(18,19)20)6-7-15(23)24/h2-7,10H,9,11H2,1H3
InChIKeyPADKBUVYLCLHPQ-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 39861104) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID39861104
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C17H14F3N3O2/c1-22(9-13-4-2-12(8-21)3-5-13)16(25)11-23-10-14(17(18,19)20)6-7-15(23)24/h2-7,10H,9,11H2,1H3
InChIKeyPADKBUVYLCLHPQ-UHFFFAOYSA-N
XLogP2.40
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602635
N-[(4-cyanophenyl)methyl]-N-methyl-2-piperazin-1-ylacetamide
CID 60940005
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277708
3-(4-tert-butylphenyl)-N-[(4-cyanophenyl)methyl]-N-methylpropanamide
CID 39859716
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31645961
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-ethyl-N-(2-hydroxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110886586
2-(4-aminopyrazol-1-yl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 61105027
N-[(4-cyanophenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 134054810
N-[(4-cyanophenyl)methyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134004257

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 39861104) is N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PADKBUVYLCLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-22(9-13-4-2-12(8-21)3-5-13)16(25)11-23-10-14(17(18,19)20)6-7-15(23)24/h2-7,10H,9,11H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 349.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 39861104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).