2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid

C27H28N6O6 — CID 70656249

IUPAC2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)ccc3ncc(-c4ncco4)cc32)CC1
InChIInChI=1S/C27H28N6O6/c34-25-2-1-21-22(13-18(15-30-21)26-28-5-10-39-26)32(25)9-8-31-6-3-20(4-7-31)33(27(35)36)17-19-14-23-24(16-29-19)38-12-11-37-23/h1-2,5,10,13-16,20H,3-4,6-9,11-12,17H2,(H,35,36)
InChIKeyUBMOJTOQAHJJPG-UHFFFAOYSA-N
MW532.56 g/mol
LogP2.86
Rot. Bonds7

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid (PubChem CID 70656249) has the molecular formula C27H28N6O6 and a molecular weight of 532.56 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid
PubChem CID70656249
Molecular FormulaC27H28N6O6
Molecular Weight532.56 g/mol
Exact Mass532.21
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)ccc3ncc(-c4ncco4)cc32)CC1
InChIInChI=1S/C27H28N6O6/c34-25-2-1-21-22(13-18(15-30-21)26-28-5-10-39-26)32(25)9-8-31-6-3-20(4-7-31)33(27(35)36)17-19-14-23-24(16-29-19)38-12-11-37-23/h1-2,5,10,13-16,20H,3-4,6-9,11-12,17H2,(H,35,36)
InChIKeyUBMOJTOQAHJJPG-UHFFFAOYSA-N
XLogP2.86
TPSA136.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid (CID 70656249) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid is O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCn2c(=O)ccc3ncc(-c4ncco4)cc32)CC1.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is UBMOJTOQAHJJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O6/c34-25-2-1-21-22(13-18(15-30-21)26-28-5-10-39-26)32(25)9-8-31-6-3-20(4-7-31)33(27(35)36)17-19-14-23-24(16-29-19)38-12-11-37-23/h1-2,5,10,13-16,20H,3-4,6-9,11-12,17H2,(H,35,36).
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid?
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 532.56 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-[7-(1,3-oxazol-2-yl)-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 70656249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).