3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide

C26H33N5O3 — CID 132779791

IUPAC3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
SMILESCN(C)CCOc1cccc(C(=O)N(C)CC2(O)CCCN(c3ccnc4ccncc34)C2)c1
InChIInChI=1S/C26H33N5O3/c1-29(2)14-15-34-21-7-4-6-20(16-21)25(32)30(3)18-26(33)10-5-13-31(19-26)24-9-12-28-23-8-11-27-17-22(23)24/h4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,1-3H3
InChIKeyDVAATDSOIOQCPC-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.67
Rot. Bonds8

About 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide

3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide (PubChem CID 132779791) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
PubChem CID132779791
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide
SMILESCN(C)CCOc1cccc(C(=O)N(C)CC2(O)CCCN(c3ccnc4ccncc34)C2)c1
InChIInChI=1S/C26H33N5O3/c1-29(2)14-15-34-21-7-4-6-20(16-21)25(32)30(3)18-26(33)10-5-13-31(19-26)24-9-12-28-23-8-11-27-17-22(23)24/h4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,1-3H3
InChIKeyDVAATDSOIOQCPC-UHFFFAOYSA-N
XLogP2.67
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide (CID 132779791) is 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide is CN(C)CCOc1cccc(C(=O)N(C)CC2(O)CCCN(c3ccnc4ccncc34)C2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is DVAATDSOIOQCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-29(2)14-15-34-21-7-4-6-20(16-21)25(32)30(3)18-26(33)10-5-13-31(19-26)24-9-12-28-23-8-11-27-17-22(23)24/h4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide?
3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 463.58 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 132779791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).