2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H32F3N5O2 — CID 71238596

IUPAC2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(N(C)CCO)nc2)CC1
InChIInChI=1S/C24H32F3N5O2/c1-16-8-10-32(11-9-16)22-19(4-6-20(30-22)24(25,26)27)15-29-23(34)17(2)18-5-7-21(28-14-18)31(3)12-13-33/h4-7,14,16-17,33H,8-13,15H2,1-3H3,(H,29,34)
InChIKeyOXKAJVSIOBWNHK-UHFFFAOYSA-N
MW479.55 g/mol
LogP3.58
Rot. Bonds8

About 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 71238596) has the molecular formula C24H32F3N5O2 and a molecular weight of 479.55 g/mol. Its IUPAC name is 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID71238596
Molecular FormulaC24H32F3N5O2
Molecular Weight479.55 g/mol
Exact Mass479.25
IUPAC Name2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(N(C)CCO)nc2)CC1
InChIInChI=1S/C24H32F3N5O2/c1-16-8-10-32(11-9-16)22-19(4-6-20(30-22)24(25,26)27)15-29-23(34)17(2)18-5-7-21(28-14-18)31(3)12-13-33/h4-7,14,16-17,33H,8-13,15H2,1-3H3,(H,29,34)
InChIKeyOXKAJVSIOBWNHK-UHFFFAOYSA-N
XLogP3.58
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 71238596) is 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(N(C)CCO)nc2)CC1.
What is the InChIKey of 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is OXKAJVSIOBWNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O2/c1-16-8-10-32(11-9-16)22-19(4-6-20(30-22)24(25,26)27)15-29-23(34)17(2)18-5-7-21(28-14-18)31(3)12-13-33/h4-7,14,16-17,33H,8-13,15H2,1-3H3,(H,29,34).
What are the key properties of 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 479.55 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 71238596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).