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

C25H30N4O2 — CID 58496586

IUPACN-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C25H30N4O2/c1-4-7-18(21-8-6-11-26-15-21)12-22-16-27-17-23(29-22)19-9-10-20(24(13-19)31-3)14-25(30)28-5-2/h6,8-11,13,15-18H,4-5,7,12,14H2,1-3H3,(H,28,30)/t18-/m1/s1
InChIKeyLLFBCFIERDCSSJ-GOSISDBHSA-N
MW418.54 g/mol
LogP4.35
Rot. Bonds10

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

N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496586) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
PubChem CID58496586
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cccnc1
InChIInChI=1S/C25H30N4O2/c1-4-7-18(21-8-6-11-26-15-21)12-22-16-27-17-23(29-22)19-9-10-20(24(13-19)31-3)14-25(30)28-5-2/h6,8-11,13,15-18H,4-5,7,12,14H2,1-3H3,(H,28,30)/t18-/m1/s1
InChIKeyLLFBCFIERDCSSJ-GOSISDBHSA-N
XLogP4.35
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.35
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-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide (CID 58496586) is N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide is CCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cccnc1.
What is the InChIKey of N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is LLFBCFIERDCSSJ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-7-18(21-8-6-11-26-15-21)12-22-16-27-17-23(29-22)19-9-10-20(24(13-19)31-3)14-25(30)28-5-2/h6,8-11,13,15-18H,4-5,7,12,14H2,1-3H3,(H,28,30)/t18-/m1/s1.
What are the key properties of N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 418.54 g/mol, XLogP of 4.35, 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-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).