2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

C23H23N5O3 — CID 55967455

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H23N5O3/c29-20(26-16-8-11-27(12-9-16)13-17-5-3-4-10-24-17)14-28-15-25-21-18-6-1-2-7-19(18)31-22(21)23(28)30/h1-7,10,15-16H,8-9,11-14H2,(H,26,29)
InChIKeyYIRDLEUYUQMKBJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 55967455) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID55967455
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C23H23N5O3/c29-20(26-16-8-11-27(12-9-16)13-17-5-3-4-10-24-17)14-28-15-25-21-18-6-1-2-7-19(18)31-22(21)23(28)30/h1-7,10,15-16H,8-9,11-14H2,(H,26,29)
InChIKeyYIRDLEUYUQMKBJ-UHFFFAOYSA-N
XLogP2.32
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (CID 55967455) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is YIRDLEUYUQMKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-20(26-16-8-11-27(12-9-16)13-17-5-3-4-10-24-17)14-28-15-25-21-18-6-1-2-7-19(18)31-22(21)23(28)30/h1-7,10,15-16H,8-9,11-14H2,(H,26,29).
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 55967455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).