N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C20H15ClF3N3O — CID 118121331

IUPACN-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(-c2ccnc(Cl)c2)cc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C20H15ClF3N3O/c21-17-12-15(8-11-25-17)14-5-3-13(4-6-14)7-10-27-19(28)16-2-1-9-26-18(16)20(22,23)24/h1-6,8-9,11-12H,7,10H2,(H,27,28)
InChIKeySDVDMTVGJJOOQM-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.79
Rot. Bonds5

About N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 118121331) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID118121331
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC NameN-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(-c2ccnc(Cl)c2)cc1)c1cccnc1C(F)(F)F
InChIInChI=1S/C20H15ClF3N3O/c21-17-12-15(8-11-25-17)14-5-3-13(4-6-14)7-10-27-19(28)16-2-1-9-26-18(16)20(22,23)24/h1-6,8-9,11-12H,7,10H2,(H,27,28)
InChIKeySDVDMTVGJJOOQM-UHFFFAOYSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-chloro-4-(2-fluoro-4-pyridinyl)phenyl]-2-fluoroethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126586987
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-(3-ethylsulfanylpropyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 146083234
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2,2-dimethyl-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120527844
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[2,2-difluoro-2-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126578757
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295
N-[2-[3-(2-methyl-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 118121365
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 118121331) is N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCc1ccc(-c2ccnc(Cl)c2)cc1)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SDVDMTVGJJOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-17-12-15(8-11-25-17)14-5-3-13(4-6-14)7-10-27-19(28)16-2-1-9-26-18(16)20(22,23)24/h1-6,8-9,11-12H,7,10H2,(H,27,28).
What are the key properties of N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 405.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-4-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118121331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).