N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide

C26H32N4O2 — CID 58496591

IUPACN-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cnccc1C
InChIInChI=1S/C26H32N4O2/c1-5-7-19(23-16-27-11-10-18(23)3)12-22-15-28-17-24(30-22)20-8-9-21(25(13-20)32-4)14-26(31)29-6-2/h8-11,13,15-17,19H,5-7,12,14H2,1-4H3,(H,29,31)
InChIKeyPJVLJOUUAJOXNW-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.66
Rot. Bonds10

About N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide

N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496591) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide
PubChem CID58496591
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cnccc1C
InChIInChI=1S/C26H32N4O2/c1-5-7-19(23-16-27-11-10-18(23)3)12-22-15-28-17-24(30-22)20-8-9-21(25(13-20)32-4)14-26(31)29-6-2/h8-11,13,15-17,19H,5-7,12,14H2,1-4H3,(H,29,31)
InChIKeyPJVLJOUUAJOXNW-UHFFFAOYSA-N
XLogP4.66
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide (CID 58496591) is N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide is CCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cnccc1C.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is PJVLJOUUAJOXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-7-19(23-16-27-11-10-18(23)3)12-22-15-28-17-24(30-22)20-8-9-21(25(13-20)32-4)14-26(31)29-6-2/h8-11,13,15-17,19H,5-7,12,14H2,1-4H3,(H,29,31).
What are the key properties of N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide?
N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 432.57 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methoxy-4-[6-[2-(4-methyl-3-pyridinyl)pentyl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).