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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Related Compounds

N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
N-(pyridin-4-yl)-9H-xanthene-9-carboxamide
CID 659939
3-isopropyl-N-(4-methyl-3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440296
2-Amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
CID 53465113
US10155760, Example 27
CID 118420285
US9902722, Example 7
CID 118429852
trans-(1R,2R)-2-[(S)-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-pyridin-3-ylmethyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methylcyclopropane-1-carboxamide
CID 164615007
N-[4-[4-[(2S)-2-amino-4-methylpentoxy]phenyl]-2-pyridinyl]acetamide
CID 168286154
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10620661

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).