N-pyrazin-2-yl-9H-xanthene-9-carboxamide

C18H13N3O2 — CID 1246885

IUPACN-pyrazin-2-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-18(21-16-11-19-9-10-20-16)17-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)17/h1-11,17H,(H,20,21,22)
InChIKeyKOZOPFWXLGLHHG-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds2

About N-pyrazin-2-yl-9H-xanthene-9-carboxamide

N-pyrazin-2-yl-9H-xanthene-9-carboxamide (PubChem CID 1246885) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-pyrazin-2-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-9H-xanthene-9-carboxamide
PubChem CID1246885
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-pyrazin-2-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-18(21-16-11-19-9-10-20-16)17-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)17/h1-11,17H,(H,20,21,22)
InChIKeyKOZOPFWXLGLHHG-UHFFFAOYSA-N
XLogP3.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-pyrazin-2-yl-9H-xanthene-9-carboxamide (CID 1246885) is N-pyrazin-2-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-9H-xanthene-9-carboxamide is O=C(Nc1cnccn1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-pyrazin-2-yl-9H-xanthene-9-carboxamide?
The InChIKey is KOZOPFWXLGLHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(21-16-11-19-9-10-20-16)17-12-5-1-3-7-14(12)23-15-8-4-2-6-13(15)17/h1-11,17H,(H,20,21,22).
What are the key properties of N-pyrazin-2-yl-9H-xanthene-9-carboxamide?
N-pyrazin-2-yl-9H-xanthene-9-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1246885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).