5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide

C26H32N6O3 — CID 175818841

IUPAC5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])c1nc(C(=O)N[C@@H]2CCOC2)ccc1N1CCN(C([2H])([2H])c2cnc3cc(CC)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C26H32N6O3/c1-3-19-13-22-23(30-25(19)33)12-18(14-27-22)15-31-7-9-32(10-8-31)24-5-4-21(28-17(24)2)26(34)29-20-6-11-35-16-20/h4-5,12-14,20H,3,6-11,15-16H2,1-2H3,(H,29,34)(H,30,33)/t20-/m1/s1/i2D3,15D2
InChIKeyBABAPQIYMIAMLA-XJKRXCNNSA-N
MW481.61 g/mol
LogP2.03
Rot. Bonds7

About 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide

5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide (PubChem CID 175818841) has the molecular formula C26H32N6O3 and a molecular weight of 481.61 g/mol. Its IUPAC name is 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide
PubChem CID175818841
Molecular FormulaC26H32N6O3
Molecular Weight481.61 g/mol
Exact Mass481.28
IUPAC Name5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide
SMILES[2H]C([2H])([2H])c1nc(C(=O)N[C@@H]2CCOC2)ccc1N1CCN(C([2H])([2H])c2cnc3cc(CC)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C26H32N6O3/c1-3-19-13-22-23(30-25(19)33)12-18(14-27-22)15-31-7-9-32(10-8-31)24-5-4-21(28-17(24)2)26(34)29-20-6-11-35-16-20/h4-5,12-14,20H,3,6-11,15-16H2,1-2H3,(H,29,34)(H,30,33)/t20-/m1/s1/i2D3,15D2
InChIKeyBABAPQIYMIAMLA-XJKRXCNNSA-N
XLogP2.03
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide (CID 175818841) is 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide is [2H]C([2H])([2H])c1nc(C(=O)N[C@@H]2CCOC2)ccc1N1CCN(C([2H])([2H])c2cnc3cc(CC)c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide?
The InChIKey is BABAPQIYMIAMLA-XJKRXCNNSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-19-13-22-23(30-25(19)33)12-18(14-27-22)15-31-7-9-32(10-8-31)24-5-4-21(28-17(24)2)26(34)29-20-6-11-35-16-20/h4-5,12-14,20H,3,6-11,15-16H2,1-2H3,(H,29,34)(H,30,33)/t20-/m1/s1/i2D3,15D2.
What are the key properties of 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide?
5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide has a molecular weight of 481.61 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[dideuterio-(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxolan-3-yl]-6-(trideuteriomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175818841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).