1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

C28H35N5O3 — CID 44576660

IUPAC1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1
InChIInChI=1S/C28H35N5O3/c1-4-31-28(27(29)34)15-17-33(18-16-28)24-19-30-25(20-7-11-22(12-8-20)35-5-2)26(32-24)21-9-13-23(14-10-21)36-6-3/h7-14,19,31H,4-6,15-18H2,1-3H3,(H2,29,34)
InChIKeyMXYAUZSZXRTBLD-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.04
Rot. Bonds10

About 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 44576660) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID44576660
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1
InChIInChI=1S/C28H35N5O3/c1-4-31-28(27(29)34)15-17-33(18-16-28)24-19-30-25(20-7-11-22(12-8-20)35-5-2)26(32-24)21-9-13-23(14-10-21)36-6-3/h7-14,19,31H,4-6,15-18H2,1-3H3,(H2,29,34)
InChIKeyMXYAUZSZXRTBLD-UHFFFAOYSA-N
XLogP4.04
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 44576660) is 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccc(OCC)cc3)n2)CC1.
What is the InChIKey of 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is MXYAUZSZXRTBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-4-31-28(27(29)34)15-17-33(18-16-28)24-19-30-25(20-7-11-22(12-8-20)35-5-2)26(32-24)21-9-13-23(14-10-21)36-6-3/h7-14,19,31H,4-6,15-18H2,1-3H3,(H2,29,34).
What are the key properties of 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-bis(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 44576660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).