1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one

C141H194N20O26 — CID 158706019

About 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one

1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (PubChem CID 158706019) has the molecular formula C141H194N20O26 and a molecular weight of 2585.22 g/mol. Its IUPAC name is 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one.

Molecular Properties

• Compound Name: 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
• PubChem CID: 158706019
• Molecular Formula: C141H194N20O26
• Molecular Weight: 2585.22 g/mol
• Exact Mass: 2583.45
• IUPAC Name: 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one
• SMILES: CC(C)CC(=O)Cc1cc(C(N)=O)ccn1.CC(C)CC(=O)Cc1ccc(COC=O)cn1.CC(C)CC(=O)Cc1cccc(COC=O)n1.CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.COC(=O)c1cccnc1CC(=O)CC(C)C.COC(=O)c1ccnc(CC(=O)CC(C)C)c1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C
• InChI: InChI=1S/C13H18N2O2.4C13H17NO3.C12H16N2O2.4C11H16N2O2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-9(2)6-12(15)8-11-7-10(4-5-14-11)13(16)17-3;1-9(2)7-10(15)8-12-11(13(16)17-3)5-4-6-14-12;1-10(2)5-13(16)6-12-4-3-11(7-14-12)8-17-9-15;1-10(2)6-13(16)7-11-4-3-5-12(14-11)8-17-9-15;1-8(2)5-11(15)7-10-6-9(12(13)16)3-4-14-10;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,17);4-5,7,9H,6,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-5,9-10H,6-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H2,13,16);3*6-8H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3
• InChIKey: IICSURUGIOLSBQ-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 651.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 62
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.22
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?

The IUPAC name of 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one (CID 158706019) is 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one.

What is the SMILES notation for 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?

The canonical SMILES for 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one is CC(C)CC(=O)Cc1cc(C(N)=O)ccn1.CC(C)CC(=O)Cc1ccc(COC=O)cn1.CC(C)CC(=O)Cc1cccc(COC=O)n1.CC(C)CC(=O)Cc1cccnn1.CC(C)CC(=O)Cc1ccnnc1.CNC(=O)c1ccnc(CC(=O)CC(C)C)c1.COC(=O)c1cccnc1CC(=O)CC(C)C.COC(=O)c1ccnc(CC(=O)CC(C)C)c1.COc1ccc(CC(=O)CC(C)C)nn1.COc1cnc(CC(=O)CC(C)C)cn1.COc1cncc(CC(=O)CC(C)C)n1.COc1cncnc1CC(=O)CC(C)C.

What is the InChIKey of 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?

The InChIKey is IICSURUGIOLSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.4C13H17NO3.C12H16N2O2.4C11H16N2O2.2C10H14N2O/c1-9(2)6-12(16)8-11-7-10(4-5-15-11)13(17)14-3;1-9(2)6-12(15)8-11-7-10(4-5-14-11)13(16)17-3;1-9(2)7-10(15)8-12-11(13(16)17-3)5-4-6-14-12;1-10(2)5-13(16)6-12-4-3-11(7-14-12)8-17-9-15;1-10(2)6-13(16)7-11-4-3-5-12(14-11)8-17-9-15;1-8(2)5-11(15)7-10-6-9(12(13)16)3-4-14-10;1-8(2)4-10(14)5-9-6-13-11(15-3)7-12-9;1-8(2)4-10(14)5-9-6-12-7-11(13-9)15-3;1-8(2)4-9(14)5-10-11(15-3)6-12-7-13-10;1-8(2)6-10(14)7-9-4-5-11(15-3)13-12-9;1-8(2)5-10(13)6-9-3-4-11-12-7-9;1-8(2)6-10(13)7-9-4-3-5-11-12-9/h4-5,7,9H,6,8H2,1-3H3,(H,14,17);4-5,7,9H,6,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;3-5,9-10H,6-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H2,13,16);3*6-8H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-5,8H,6-7H2,1-2H3.

What are the key properties of 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one?

1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one has a molecular weight of 2585.22 g/mol, XLogP of 20.65, 62 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyrazin-2-yl)-4-methylpentan-2-one;1-(6-methoxypyridazin-3-yl)-4-methylpentan-2-one;1-(5-methoxypyrimidin-4-yl)-4-methylpentan-2-one;N-methyl-2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;methyl 2-(4-methyl-2-oxopentyl)pyridine-3-carboxylate;methyl 2-(4-methyl-2-oxopentyl)pyridine-4-carboxylate;2-(4-methyl-2-oxopentyl)pyridine-4-carboxamide;[6-(4-methyl-2-oxopentyl)-2-pyridinyl]methyl formate;[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl formate;4-methyl-1-pyridazin-3-ylpentan-2-one;4-methyl-1-pyridazin-4-ylpentan-2-one is sourced from PubChem (CID 158706019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).