N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide

C20H16N2O2 — CID 1221732

IUPACN-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
SMILESCc1cccnc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H16N2O2/c1-13-7-6-12-21-19(13)22-20(23)18-14-8-2-4-10-16(14)24-17-11-5-3-9-15(17)18/h2-12,18H,1H3,(H,21,22,23)
InChIKeyZLQKQXUVVJEOBM-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide

N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide (PubChem CID 1221732) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
PubChem CID1221732
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
SMILESCc1cccnc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H16N2O2/c1-13-7-6-12-21-19(13)22-20(23)18-14-8-2-4-10-16(14)24-17-11-5-3-9-15(17)18/h2-12,18H,1H3,(H,21,22,23)
InChIKeyZLQKQXUVVJEOBM-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-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide (CID 1221732) is N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide is Cc1cccnc1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide?
The InChIKey is ZLQKQXUVVJEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-7-6-12-21-19(13)22-20(23)18-14-8-2-4-10-16(14)24-17-11-5-3-9-15(17)18/h2-12,18H,1H3,(H,21,22,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide?
N-(3-methyl-2-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-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).