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

C20H26F3N5O3 — CID 121427075

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H26F3N5O3/c1-5-28(12-11-27(4)18-25-10-8-15(26-18)19(2,3)30)17(29)14-7-6-9-24-16(14)31-13-20(21,22)23/h6-10,30H,5,11-13H2,1-4H3
InChIKeyVSUWHVJCEFGMCX-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.64
Rot. Bonds9

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

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 121427075) has the molecular formula C20H26F3N5O3 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID121427075
Molecular FormulaC20H26F3N5O3
Molecular Weight441.45 g/mol
Exact Mass441.20
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C20H26F3N5O3/c1-5-28(12-11-27(4)18-25-10-8-15(26-18)19(2,3)30)17(29)14-7-6-9-24-16(14)31-13-20(21,22)23/h6-10,30H,5,11-13H2,1-4H3
InChIKeyVSUWHVJCEFGMCX-UHFFFAOYSA-N
XLogP2.64
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,2-difluoroethoxy)-N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416879
2-ethoxy-N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]pyridine-3-carboxamide
CID 121416907
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120519705
2-[methyl-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 99697580
N-methyl-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 44775773
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(2,2,2-trifluoroethyl)benzamide
CID 121416919
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethyl-2-(trifluoromethoxy)benzamide
CID 121427025
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrimidin-2-ylbenzamide
CID 121413896
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 133272153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 121427075) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is VSUWHVJCEFGMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O3/c1-5-28(12-11-27(4)18-25-10-8-15(26-18)19(2,3)30)17(29)14-7-6-9-24-16(14)31-13-20(21,22)23/h6-10,30H,5,11-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121427075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).