N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide

C23H26N4O2 — CID 121413896

IUPACN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-13-17-9-7-12-20(26-17)23(2,3)29)22(28)19-11-6-5-10-18(19)21-24-14-8-15-25-21/h5-12,14-15,29H,4,13,16H2,1-3H3
InChIKeyVMWCGJBVHQIQLB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.47
Rot. Bonds7

About N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide (PubChem CID 121413896) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
PubChem CID121413896
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-13-17-9-7-12-20(26-17)23(2,3)29)22(28)19-11-6-5-10-18(19)21-24-14-8-15-25-21/h5-12,14-15,29H,4,13,16H2,1-3H3
InChIKeyVMWCGJBVHQIQLB-UHFFFAOYSA-N
XLogP3.47
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]benzamide
CID 121413987
2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416907
1-(2-pyrimidin-2-ylphenyl)ethanone
CID 55262820
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 121427075
2-[6-(2-aminoethyl)-2-pyridinyl]propan-2-ol
CID 155007002
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416879
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(tetrazol-2-yl)benzamide
CID 121413980
3-[[2-[2-[methyl(pyridin-2-yl)carbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69429042
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111596655
methyl 2-[ethyl-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]carbamoyl]benzoate
CID 121315721
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide (CID 121413896) is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide is CCN(CCc1cccc(C(C)(C)O)n1)C(=O)c1ccccc1-c1ncccn1.
What is the InChIKey of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide?
The InChIKey is VMWCGJBVHQIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(16-13-17-9-7-12-20(26-17)23(2,3)29)22(28)19-11-6-5-10-18(19)21-24-14-8-15-25-21/h5-12,14-15,29H,4,13,16H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide?
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.47, 7 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]ethyl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 121413896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).