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

C18H13N3O2 — CID 709846

IUPACN-pyrimidin-2-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ncccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-17(21-18-19-10-5-11-20-18)16-12-6-1-3-8-14(12)23-15-9-4-2-7-13(15)16/h1-11,16H,(H,19,20,21,22)
InChIKeyDLGJBHKBJSCXRW-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.35
Rot. Bonds2

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

N-pyrimidin-2-yl-9H-xanthene-9-carboxamide (PubChem CID 709846) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-pyrimidin-2-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-9H-xanthene-9-carboxamide
PubChem CID709846
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-pyrimidin-2-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ncccn1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H13N3O2/c22-17(21-18-19-10-5-11-20-18)16-12-6-1-3-8-14(12)23-15-9-4-2-7-13(15)16/h1-11,16H,(H,19,20,21,22)
InChIKeyDLGJBHKBJSCXRW-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-pyrimidin-2-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-9H-xanthene-9-carboxamide (CID 709846) is N-pyrimidin-2-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-9H-xanthene-9-carboxamide is O=C(Nc1ncccn1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-pyrimidin-2-yl-9H-xanthene-9-carboxamide?
The InChIKey is DLGJBHKBJSCXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17(21-18-19-10-5-11-20-18)16-12-6-1-3-8-14(12)23-15-9-4-2-7-13(15)16/h1-11,16H,(H,19,20,21,22).
What are the key properties of N-pyrimidin-2-yl-9H-xanthene-9-carboxamide?
N-pyrimidin-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-pyrimidin-2-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 709846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).