N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C14H17N5O3 — CID 122355973

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2ccc(=O)n(C)n2)c(C)n1
InChIInChI=1S/C14H17N5O3/c1-5-22-14-15-8(2)12(9(3)16-14)17-13(21)10-6-7-11(20)19(4)18-10/h6-7H,5H2,1-4H3,(H,17,21)
InChIKeyMXKNNPYUHUPYJI-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.84
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 122355973) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID122355973
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2ccc(=O)n(C)n2)c(C)n1
InChIInChI=1S/C14H17N5O3/c1-5-22-14-15-8(2)12(9(3)16-14)17-13(21)10-6-7-11(20)19(4)18-10/h6-7H,5H2,1-4H3,(H,17,21)
InChIKeyMXKNNPYUHUPYJI-UHFFFAOYSA-N
XLogP0.84
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 122355973) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide is CCOc1nc(C)c(NC(=O)c2ccc(=O)n(C)n2)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is MXKNNPYUHUPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-5-22-14-15-8(2)12(9(3)16-14)17-13(21)10-6-7-11(20)19(4)18-10/h6-7H,5H2,1-4H3,(H,17,21).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 122355973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).