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

C21H20N8O — CID 53328636

IUPAC6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C21H20N8O/c1-3-14-7-8-17(25-15-11-22-13-23-12-15)20(26-14)21(30)27-19-10-18(28-29(19)2)16-6-4-5-9-24-16/h4-13,25H,3H2,1-2H3,(H,27,30)
InChIKeyKNWPZZGSEGMAGU-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.23
Rot. Bonds6

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

6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328636) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328636
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C21H20N8O/c1-3-14-7-8-17(25-15-11-22-13-23-12-15)20(26-14)21(30)27-19-10-18(28-29(19)2)16-6-4-5-9-24-16/h4-13,25H,3H2,1-2H3,(H,27,30)
InChIKeyKNWPZZGSEGMAGU-UHFFFAOYSA-N
XLogP3.23
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328636) is 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is KNWPZZGSEGMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-3-14-7-8-17(25-15-11-22-13-23-12-15)20(26-14)21(30)27-19-10-18(28-29(19)2)16-6-4-5-9-24-16/h4-13,25H,3H2,1-2H3,(H,27,30).
What are the key properties of 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).