6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide

C24H20N4O2 — CID 56547167

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)cn2)n1
InChIInChI=1S/C24H20N4O2/c1-15-13-16(2)28(27-15)22-12-11-17(14-25-22)24(29)26-23-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)23/h3-14,23H,1-2H3,(H,26,29)
InChIKeyGZXYQAZIZLSJMT-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.51
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide (PubChem CID 56547167) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide
PubChem CID56547167
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)cn2)n1
InChIInChI=1S/C24H20N4O2/c1-15-13-16(2)28(27-15)22-12-11-17(14-25-22)24(29)26-23-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)23/h3-14,23H,1-2H3,(H,26,29)
InChIKeyGZXYQAZIZLSJMT-UHFFFAOYSA-N
XLogP4.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide (CID 56547167) is 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide?
The InChIKey is GZXYQAZIZLSJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-13-16(2)28(27-15)22-12-11-17(14-25-22)24(29)26-23-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)23/h3-14,23H,1-2H3,(H,26,29).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56547167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).