N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide

C20H16N2O2 — CID 112773465

IUPACN-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
SMILESCc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccn1
InChIInChI=1S/C20H16N2O2/c1-13-12-14(10-11-21-13)22-20(23)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-12,19H,1H3,(H,21,22,23)
InChIKeyPXZJCUVZRCRRKA-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide

N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide (PubChem CID 112773465) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
PubChem CID112773465
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide
SMILESCc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccn1
InChIInChI=1S/C20H16N2O2/c1-13-12-14(10-11-21-13)22-20(23)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-12,19H,1H3,(H,21,22,23)
InChIKeyPXZJCUVZRCRRKA-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide (CID 112773465) is N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide is Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide?
The InChIKey is PXZJCUVZRCRRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-12-14(10-11-21-13)22-20(23)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-12,19H,1H3,(H,21,22,23).
What are the key properties of N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide?
N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 112773465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).