1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide

C18H22N6O2 — CID 91768821

IUPAC1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)ccc1=O
InChIInChI=1S/C18H22N6O2/c1-23-17(25)5-4-14(22-23)18(26)21-13-8-12(9-13)15-10-16(20-11-19-15)24-6-2-3-7-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,21,26)
InChIKeyWFAVSEQYNNQAKR-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.85
Rot. Bonds4

About 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide (PubChem CID 91768821) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide
PubChem CID91768821
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)ccc1=O
InChIInChI=1S/C18H22N6O2/c1-23-17(25)5-4-14(22-23)18(26)21-13-8-12(9-13)15-10-16(20-11-19-15)24-6-2-3-7-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,21,26)
InChIKeyWFAVSEQYNNQAKR-UHFFFAOYSA-N
XLogP0.85
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide (CID 91768821) is 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide?
The InChIKey is WFAVSEQYNNQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-17(25)5-4-14(22-23)18(26)21-13-8-12(9-13)15-10-16(20-11-19-15)24-6-2-3-7-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,21,26).
What are the key properties of 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]pyridazine-3-carboxamide is sourced from PubChem (CID 91768821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).