6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide

C14H16N6O3 — CID 71794873

IUPAC6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCOCC3)ncn2)nn1
InChIInChI=1S/C14H16N6O3/c1-22-13-3-2-10(18-19-13)14(21)17-11-8-12(16-9-15-11)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,15,16,17,21)
InChIKeyPROPDGWCZRIQLI-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.36
Rot. Bonds4

About 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide

6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide (PubChem CID 71794873) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
PubChem CID71794873
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cc(N3CCOCC3)ncn2)nn1
InChIInChI=1S/C14H16N6O3/c1-22-13-3-2-10(18-19-13)14(21)17-11-8-12(16-9-15-11)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,15,16,17,21)
InChIKeyPROPDGWCZRIQLI-UHFFFAOYSA-N
XLogP0.36
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide (CID 71794873) is 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2cc(N3CCOCC3)ncn2)nn1.
What is the InChIKey of 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is PROPDGWCZRIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-22-13-3-2-10(18-19-13)14(21)17-11-8-12(16-9-15-11)20-4-6-23-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,15,16,17,21).
What are the key properties of 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide?
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71794873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).