N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C21H27F3N4O2 — CID 121416935

IUPACN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F
InChIInChI=1S/C21H27F3N4O2/c1-5-28(19(29)15-8-7-11-25-16(15)14-21(22,23)24)13-12-27(4)18-10-6-9-17(26-18)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3
InChIKeyIYJFCMIDHUENES-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 121416935) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID121416935
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F
InChIInChI=1S/C21H27F3N4O2/c1-5-28(19(29)15-8-7-11-25-16(15)14-21(22,23)24)13-12-27(4)18-10-6-9-17(26-18)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3
InChIKeyIYJFCMIDHUENES-UHFFFAOYSA-N
XLogP3.41
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 121416935) is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1cccnc1CC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is IYJFCMIDHUENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-5-28(19(29)15-8-7-11-25-16(15)14-21(22,23)24)13-12-27(4)18-10-6-9-17(26-18)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 121416935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).