6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H20N8O2 — CID 53329884

IUPAC6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C21H20N8O2/c1-29-19(9-18(28-29)16-5-3-4-8-24-16)27-21(30)20-17(7-6-14(26-20)12-31-2)25-15-10-22-13-23-11-15/h3-11,13,25H,12H2,1-2H3,(H,27,30)
InChIKeyNYKBBNJZKRWKSJ-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.81
Rot. Bonds7

About 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329884) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329884
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C21H20N8O2/c1-29-19(9-18(28-29)16-5-3-4-8-24-16)27-21(30)20-17(7-6-14(26-20)12-31-2)25-15-10-22-13-23-11-15/h3-11,13,25H,12H2,1-2H3,(H,27,30)
InChIKeyNYKBBNJZKRWKSJ-UHFFFAOYSA-N
XLogP2.81
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329884) is 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is NYKBBNJZKRWKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-29-19(9-18(28-29)16-5-3-4-8-24-16)27-21(30)20-17(7-6-14(26-20)12-31-2)25-15-10-22-13-23-11-15/h3-11,13,25H,12H2,1-2H3,(H,27,30).
What are the key properties of 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).