N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H24F3N5O2 — CID 121416837

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H24F3N5O2/c1-5-27(10-9-26(4)18-24-13(2)11-14(3)25-18)17(28)15-7-6-8-23-16(15)29-12-19(20,21)22/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyAIKDJLKBRWWSOF-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.03
Rot. Bonds8

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 121416837) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID121416837
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H24F3N5O2/c1-5-27(10-9-26(4)18-24-13(2)11-14(3)25-18)17(28)15-7-6-8-23-16(15)29-12-19(20,21)22/h6-8,11H,5,9-10,12H2,1-4H3
InChIKeyAIKDJLKBRWWSOF-UHFFFAOYSA-N
XLogP3.03
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 121416837) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is AIKDJLKBRWWSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-5-27(10-9-26(4)18-24-13(2)11-14(3)25-18)17(28)15-7-6-8-23-16(15)29-12-19(20,21)22/h6-8,11H,5,9-10,12H2,1-4H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121416837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).