N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

C15H14F3N3O2 — CID 118088044

IUPACN,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-21(2)14(22)12-5-3-4-11(20-12)10-6-7-13(19-8-10)23-9-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyYCNANVCCBRJKJB-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.79
Rot. Bonds4

About N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 118088044) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID118088044
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(-c2ccc(OCC(F)(F)F)nc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-21(2)14(22)12-5-3-4-11(20-12)10-6-7-13(19-8-10)23-9-15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyYCNANVCCBRJKJB-UHFFFAOYSA-N
XLogP2.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 118088044) is N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is CN(C)C(=O)c1cccc(-c2ccc(OCC(F)(F)F)nc2)n1.
What is the InChIKey of N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YCNANVCCBRJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-21(2)14(22)12-5-3-4-11(20-12)10-6-7-13(19-8-10)23-9-15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 118088044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).