6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine

C27H37N5O2 — CID 11442626

IUPAC6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCN(CC)CC)c(OC)c2)n1)c1cncc(C)c1
InChIInChI=1S/C27H37N5O2/c1-6-9-23(22-14-20(4)16-28-17-22)30-27-19-29-18-24(31-27)21-10-11-25(26(15-21)33-5)34-13-12-32(7-2)8-3/h10-11,14-19,23H,6-9,12-13H2,1-5H3,(H,30,31)
InChIKeyLCHGCHNSOGDPFX-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.53
Rot. Bonds13

About 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine

6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine (PubChem CID 11442626) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine
PubChem CID11442626
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine
SMILESCCCC(Nc1cncc(-c2ccc(OCCN(CC)CC)c(OC)c2)n1)c1cncc(C)c1
InChIInChI=1S/C27H37N5O2/c1-6-9-23(22-14-20(4)16-28-17-22)30-27-19-29-18-24(31-27)21-10-11-25(26(15-21)33-5)34-13-12-32(7-2)8-3/h10-11,14-19,23H,6-9,12-13H2,1-5H3,(H,30,31)
InChIKeyLCHGCHNSOGDPFX-UHFFFAOYSA-N
XLogP5.53
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine?
The IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine (CID 11442626) is 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine.
What is the SMILES notation for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine?
The canonical SMILES for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine is CCCC(Nc1cncc(-c2ccc(OCCN(CC)CC)c(OC)c2)n1)c1cncc(C)c1.
What is the InChIKey of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine?
The InChIKey is LCHGCHNSOGDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-6-9-23(22-14-20(4)16-28-17-22)30-27-19-29-18-24(31-27)21-10-11-25(26(15-21)33-5)34-13-12-32(7-2)8-3/h10-11,14-19,23H,6-9,12-13H2,1-5H3,(H,30,31).
What are the key properties of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine?
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine has a molecular weight of 463.63 g/mol, XLogP of 5.53, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine is sourced from PubChem (CID 11442626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).