1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide

C18H14F3N3O2 — CID 56748506

IUPAC1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-1-5-14(9-13)26-15-12(3-2-8-23-15)10-24-16(25)17(11-22)6-7-17/h1-5,8-9H,6-7,10H2,(H,24,25)
InChIKeyOXRGJSIFTOJHEH-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.81
Rot. Bonds5

About 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide

1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 56748506) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID56748506
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-1-5-14(9-13)26-15-12(3-2-8-23-15)10-24-16(25)17(11-22)6-7-17/h1-5,8-9H,6-7,10H2,(H,24,25)
InChIKeyOXRGJSIFTOJHEH-UHFFFAOYSA-N
XLogP3.81
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 56748506) is 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide is N#CC1(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is OXRGJSIFTOJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)13-4-1-5-14(9-13)26-15-12(3-2-8-23-15)10-24-16(25)17(11-22)6-7-17/h1-5,8-9H,6-7,10H2,(H,24,25).
What are the key properties of 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56748506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).