2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide

C19H19N5O2 — CID 138588221

IUPAC2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC(=O)Nc2cc3nc(-c4cccnc4)ccc3cn2)C1([2H])[2H]
InChIInChI=1S/C19H19N5O2/c25-19(13-24-6-8-26-9-7-24)23-18-10-17-15(12-21-18)3-4-16(22-17)14-2-1-5-20-11-14/h1-5,10-12H,6-9,13H2,(H,21,23,25)/i6D2,7D2,8D2,9D2
InChIKeyPCGNRJMRMSFMKF-COMRDEPKSA-N
MW357.44 g/mol
LogP1.96
Rot. Bonds4

About 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide

2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide (PubChem CID 138588221) has the molecular formula C19H19N5O2 and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide
PubChem CID138588221
Molecular FormulaC19H19N5O2
Molecular Weight357.44 g/mol
Exact Mass357.20
IUPAC Name2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC(=O)Nc2cc3nc(-c4cccnc4)ccc3cn2)C1([2H])[2H]
InChIInChI=1S/C19H19N5O2/c25-19(13-24-6-8-26-9-7-24)23-18-10-17-15(12-21-18)3-4-16(22-17)14-2-1-5-20-11-14/h1-5,10-12H,6-9,13H2,(H,21,23,25)/i6D2,7D2,8D2,9D2
InChIKeyPCGNRJMRMSFMKF-COMRDEPKSA-N
XLogP1.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide?
The IUPAC name of 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide (CID 138588221) is 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide.
What is the SMILES notation for 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide?
The canonical SMILES for 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC(=O)Nc2cc3nc(-c4cccnc4)ccc3cn2)C1([2H])[2H].
What is the InChIKey of 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide?
The InChIKey is PCGNRJMRMSFMKF-COMRDEPKSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(13-24-6-8-26-9-7-24)23-18-10-17-15(12-21-18)3-4-16(22-17)14-2-1-5-20-11-14/h1-5,10-12H,6-9,13H2,(H,21,23,25)/i6D2,7D2,8D2,9D2.
What are the key properties of 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide?
2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-N-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)acetamide is sourced from PubChem (CID 138588221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).