N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide

C21H26F3N3O3 — CID 121416851

IUPACN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H26F3N3O3/c1-5-27(19(28)15-9-6-7-10-16(15)30-21(22,23)24)14-13-26(4)18-12-8-11-17(25-18)20(2,3)29/h6-12,29H,5,13-14H2,1-4H3
InChIKeyBVIPNAJTTULRTM-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.81
Rot. Bonds8

About N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide

N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 121416851) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
PubChem CID121416851
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C21H26F3N3O3/c1-5-27(19(28)15-9-6-7-10-16(15)30-21(22,23)24)14-13-26(4)18-12-8-11-17(25-18)20(2,3)29/h6-12,29H,5,13-14H2,1-4H3
InChIKeyBVIPNAJTTULRTM-UHFFFAOYSA-N
XLogP3.81
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 162659936
1-(2-Methoxybenzoyl)-4-(2-pyridinyl)piperazine
CID 800911
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
2-methoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 17462644
2,6-Dimethoxy-N-[(1S,2S)-2-{[6-(trifluoromethyl)pyridin-2-yl]amino}cyclopentyl]benzamide
CID 118308116
US10239838, Example 20
CID 121413895
US10239838, Example 17
CID 121413974
US10239838, Example 8
CID 121413979
US10239838, Example 7
CID 121413985
N-[2-[(4-cyanopyridin-2-yl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
CID 121416804
2-(2,2-difluorocyclopropyl)-N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)benz-amide
CID 121416808
N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)-2-(trifluoromethoxy)benzamide
CID 121416864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide (CID 121416851) is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide is CCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is BVIPNAJTTULRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-5-27(19(28)15-9-6-7-10-16(15)30-21(22,23)24)14-13-26(4)18-12-8-11-17(25-18)20(2,3)29/h6-12,29H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide?
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 425.45 g/mol, XLogP of 3.81, 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-(trifluoromethoxy)benzamide is sourced from PubChem (CID 121416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).