N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide

C17H15F6N3O2 — CID 146537691

IUPACN-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cn1)c1ccc(CCC(F)(F)F)cn1
InChIInChI=1S/C17H15F6N3O2/c18-16(19,20)6-5-11-1-4-14(25-7-11)15(27)26-8-12-2-3-13(9-24-12)28-10-17(21,22)23/h1-4,7,9H,5-6,8,10H2,(H,26,27)
InChIKeyUWVRPBBBTRSVKC-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.84
Rot. Bonds7

About N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide

N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide (PubChem CID 146537691) has the molecular formula C17H15F6N3O2 and a molecular weight of 407.31 g/mol. Its IUPAC name is N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
PubChem CID146537691
Molecular FormulaC17H15F6N3O2
Molecular Weight407.31 g/mol
Exact Mass407.11
IUPAC NameN-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)cn1)c1ccc(CCC(F)(F)F)cn1
InChIInChI=1S/C17H15F6N3O2/c18-16(19,20)6-5-11-1-4-14(25-7-11)15(27)26-8-12-2-3-13(9-24-12)28-10-17(21,22)23/h1-4,7,9H,5-6,8,10H2,(H,26,27)
InChIKeyUWVRPBBBTRSVKC-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide with MolForge

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Related Compounds

2-(2-chlorophenoxy)-N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
CID 118497734
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-hydroxy-5-(2,2,2-trifluoroethoxy)pyridine-2-carboximidoyl chloride
CID 144987991
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
CID 164564570
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The IUPAC name of N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide (CID 146537691) is N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide is O=C(NCc1ccc(OCC(F)(F)F)cn1)c1ccc(CCC(F)(F)F)cn1.
What is the InChIKey of N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
The InChIKey is UWVRPBBBTRSVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N3O2/c18-16(19,20)6-5-11-1-4-14(25-7-11)15(27)26-8-12-2-3-13(9-24-12)28-10-17(21,22)23/h1-4,7,9H,5-6,8,10H2,(H,26,27).
What are the key properties of N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide?
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide has a molecular weight of 407.31 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-5-(3,3,3-trifluoropropyl)pyridine-2-carboxamide is sourced from PubChem (CID 146537691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).