[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate

C26H27N5O5 — CID 142612539

IUPAC[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)N1CCOc2ncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)cc21
InChIInChI=1S/C26H27N5O5/c1-16(36-17(2)32)25(33)31-11-12-35-24-22(31)13-21(15-28-24)29-23-10-9-20(14-27-23)18-5-7-19(8-6-18)26(34)30(3)4/h5-10,13-16H,11-12H2,1-4H3,(H,27,29)
InChIKeyQCYBDWVYHBZVGD-UHFFFAOYSA-N
MW489.53 g/mol
LogP3.27
Rot. Bonds6

About [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate

[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate (PubChem CID 142612539) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate
PubChem CID142612539
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)N1CCOc2ncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)cc21
InChIInChI=1S/C26H27N5O5/c1-16(36-17(2)32)25(33)31-11-12-35-24-22(31)13-21(15-28-24)29-23-10-9-20(14-27-23)18-5-7-19(8-6-18)26(34)30(3)4/h5-10,13-16H,11-12H2,1-4H3,(H,27,29)
InChIKeyQCYBDWVYHBZVGD-UHFFFAOYSA-N
XLogP3.27
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate (CID 142612539) is [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate is CC(=O)OC(C)C(=O)N1CCOc2ncc(Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cn3)cc21.
What is the InChIKey of [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate?
The InChIKey is QCYBDWVYHBZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-16(36-17(2)32)25(33)31-11-12-35-24-22(31)13-21(15-28-24)29-23-10-9-20(14-27-23)18-5-7-19(8-6-18)26(34)30(3)4/h5-10,13-16H,11-12H2,1-4H3,(H,27,29).
What are the key properties of [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate?
[1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate has a molecular weight of 489.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 142612539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).