3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C20H20N6O3 — CID 71790002

IUPAC3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(Oc2cccc(C(=O)Nc3cnc(N4CCOCC4)nc3)c2)nn1
InChIInChI=1S/C20H20N6O3/c1-14-5-6-18(25-24-14)29-17-4-2-3-15(11-17)19(27)23-16-12-21-20(22-13-16)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,23,27)
InChIKeyNGFURDOXVUXBRY-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.46
Rot. Bonds5

About 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 71790002) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID71790002
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(Oc2cccc(C(=O)Nc3cnc(N4CCOCC4)nc3)c2)nn1
InChIInChI=1S/C20H20N6O3/c1-14-5-6-18(25-24-14)29-17-4-2-3-15(11-17)19(27)23-16-12-21-20(22-13-16)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,23,27)
InChIKeyNGFURDOXVUXBRY-UHFFFAOYSA-N
XLogP2.46
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
3-(4-fluorophenoxy)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326154
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
3-ethoxy-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]benzamide
CID 84559063
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 71790002) is 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is Cc1ccc(Oc2cccc(C(=O)Nc3cnc(N4CCOCC4)nc3)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is NGFURDOXVUXBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-14-5-6-18(25-24-14)29-17-4-2-3-15(11-17)19(27)23-16-12-21-20(22-13-16)26-7-9-28-10-8-26/h2-6,11-13H,7-10H2,1H3,(H,23,27).
What are the key properties of 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide has a molecular weight of 392.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)oxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 71790002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).