N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide

C20H26N8O2 — CID 121416857

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3
InChIKeyTXENDFXVXHYNDY-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.28
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide (PubChem CID 121416857) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
PubChem CID121416857
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3
InChIKeyTXENDFXVXHYNDY-UHFFFAOYSA-N
XLogP1.28
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

{2-[5-{[2-Fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-6-methylpyrimidin-4-yl}methanol
CID 70981794
2-(2,2-difluoroethyl)-N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl) benzamide
CID 121416863
N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl)-2-(2,2,2-trifluoroethyl)nicotinamide
CID 121427038
N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl)-2-(2,2,2-trifluoroethyl)benzamide
CID 121427076
US10239838, Example 29
CID 121413904
US10239838, Example 24
CID 121413934
US10239838, Example 55
CID 121413980
US10239838, Example 37
CID 121413986
US10239838, Example 40
CID 121414001
US10239838, Example 12
CID 121414049
US10239838, Example 44
CID 121414187
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-2-(triazol-2-yl)benzamide
CID 121416809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide (CID 121416857) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The InChIKey is TXENDFXVXHYNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide has a molecular weight of 410.48 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide is sourced from PubChem (CID 121416857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).