N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide

C23H26N4O2 — CID 58496607

IUPACN-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2cncc(CC(C)c3cccnc3)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-4-26-23(28)12-18-8-7-17(11-22(18)29-3)21-15-25-14-20(27-21)10-16(2)19-6-5-9-24-13-19/h5-9,11,13-16H,4,10,12H2,1-3H3,(H,26,28)
InChIKeyCHSYTSMHPLPKHF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.57
Rot. Bonds8

About N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide

N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496607) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide
PubChem CID58496607
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2cncc(CC(C)c3cccnc3)n2)cc1OC
InChIInChI=1S/C23H26N4O2/c1-4-26-23(28)12-18-8-7-17(11-22(18)29-3)21-15-25-14-20(27-21)10-16(2)19-6-5-9-24-13-19/h5-9,11,13-16H,4,10,12H2,1-3H3,(H,26,28)
InChIKeyCHSYTSMHPLPKHF-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.57
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-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide (CID 58496607) is N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide is CCNC(=O)Cc1ccc(-c2cncc(CC(C)c3cccnc3)n2)cc1OC.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is CHSYTSMHPLPKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-26-23(28)12-18-8-7-17(11-22(18)29-3)21-15-25-14-20(27-21)10-16(2)19-6-5-9-24-13-19/h5-9,11,13-16H,4,10,12H2,1-3H3,(H,26,28).
What are the key properties of N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide?
N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.57, 8 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-pyridin-3-ylpropyl)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).