N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C16H13F6N3O2 — CID 87342332

IUPACN-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H13F6N3O2/c1-9(12-5-3-11(7-24-12)27-8-15(17,18)19)25-14(26)13-4-2-10(6-23-13)16(20,21)22/h2-7,9H,8H2,1H3,(H,25,26)
InChIKeyRBHZWGHNKGJDGJ-UHFFFAOYSA-N
MW393.29 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 87342332) has the molecular formula C16H13F6N3O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID87342332
Molecular FormulaC16H13F6N3O2
Molecular Weight393.29 g/mol
Exact Mass393.09
IUPAC NameN-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H13F6N3O2/c1-9(12-5-3-11(7-24-12)27-8-15(17,18)19)25-14(26)13-4-2-10(6-23-13)16(20,21)22/h2-7,9H,8H2,1H3,(H,25,26)
InChIKeyRBHZWGHNKGJDGJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 118497834
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 138673165
2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
CID 67289119
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 87342332) is N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RBHZWGHNKGJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O2/c1-9(12-5-3-11(7-24-12)27-8-15(17,18)19)25-14(26)13-4-2-10(6-23-13)16(20,21)22/h2-7,9H,8H2,1H3,(H,25,26).
What are the key properties of N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 87342332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).