N-pyridin-4-yl-9H-xanthene-9-carboxamide

C19H14N2O2 — CID 659939

IUPACN-pyridin-4-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14N2O2/c22-19(21-13-9-11-20-12-10-13)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,20,21,22)
InChIKeyMGHLZEVMIBMMIV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.96
Rot. Bonds2

About N-pyridin-4-yl-9H-xanthene-9-carboxamide

N-pyridin-4-yl-9H-xanthene-9-carboxamide (PubChem CID 659939) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-pyridin-4-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-9H-xanthene-9-carboxamide
PubChem CID659939
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-pyridin-4-yl-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H14N2O2/c22-19(21-13-9-11-20-12-10-13)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,20,21,22)
InChIKeyMGHLZEVMIBMMIV-UHFFFAOYSA-N
XLogP3.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-pyridin-4-yl-9H-xanthene-9-carboxamide (CID 659939) is N-pyridin-4-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-pyridin-4-yl-9H-xanthene-9-carboxamide is O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-pyridin-4-yl-9H-xanthene-9-carboxamide?
The InChIKey is MGHLZEVMIBMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(21-13-9-11-20-12-10-13)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,20,21,22).
What are the key properties of N-pyridin-4-yl-9H-xanthene-9-carboxamide?
N-pyridin-4-yl-9H-xanthene-9-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 659939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).