5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine

C22H35N5O2 — CID 58804528

About 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine

5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (PubChem CID 58804528) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
• PubChem CID: 58804528
• Molecular Formula: C22H35N5O2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.28
• IUPAC Name: 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine
• SMILES: CCc1nc(-c2cc(COC)c(N(C)C)nc2C)c(OC)nc1NC(CC)CC
• InChI: InChI=1S/C22H35N5O2/c1-9-16(10-2)24-20-18(11-3)25-19(22(26-20)29-8)17-12-15(13-28-7)21(27(5)6)23-14(17)4/h12,16H,9-11,13H2,1-8H3,(H,24,26)
• InChIKey: GQGZZVQWXBKKOJ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?

The IUPAC name of 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine (CID 58804528) is 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine.

What is the SMILES notation for 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?

The canonical SMILES for 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is CCc1nc(-c2cc(COC)c(N(C)C)nc2C)c(OC)nc1NC(CC)CC.

What is the InChIKey of 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?

The InChIKey is GQGZZVQWXBKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-9-16(10-2)24-20-18(11-3)25-19(22(26-20)29-8)17-12-15(13-28-7)21(27(5)6)23-14(17)4/h12,16H,9-11,13H2,1-8H3,(H,24,26).

What are the key properties of 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine?

5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 401.56 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(dimethylamino)-5-(methoxymethyl)-2-methyl-3-pyridinyl]-3-ethyl-6-methoxy-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 58804528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).