2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide

C17H16N6O2 — CID 168980033

IUPAC2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C3CC3)nc12
InChIInChI=1S/C17H16N6O2/c1-10-15-12(5-6-13(20-15)11-3-4-11)16(25)23(22-10)9-14(24)21-17-18-7-2-8-19-17/h2,5-8,11H,3-4,9H2,1H3,(H,18,19,21,24)
InChIKeyUOZPUSIESUEFEL-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.41
Rot. Bonds4

About 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide

2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 168980033) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
PubChem CID168980033
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide
SMILESCc1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C3CC3)nc12
InChIInChI=1S/C17H16N6O2/c1-10-15-12(5-6-13(20-15)11-3-4-11)16(25)23(22-10)9-14(24)21-17-18-7-2-8-19-17/h2,5-8,11H,3-4,9H2,1H3,(H,18,19,21,24)
InChIKeyUOZPUSIESUEFEL-UHFFFAOYSA-N
XLogP1.41
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide (CID 168980033) is 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide is Cc1nn(CC(=O)Nc2ncccn2)c(=O)c2ccc(C3CC3)nc12.
What is the InChIKey of 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is UOZPUSIESUEFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-10-15-12(5-6-13(20-15)11-3-4-11)16(25)23(22-10)9-14(24)21-17-18-7-2-8-19-17/h2,5-8,11H,3-4,9H2,1H3,(H,18,19,21,24).
What are the key properties of 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide?
2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 336.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-8-methyl-5-oxopyrido[2,3-d]pyridazin-6-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 168980033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).