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

C26H30ClN5O2 — CID 44576659

IUPAC1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)
InChIKeyUAJXPPBANFJHRP-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.30
Rot. Bonds8

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

1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 44576659) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID44576659
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)
InChIKeyUAJXPPBANFJHRP-UHFFFAOYSA-N
XLogP4.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 44576659) is 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(OCC)cc3)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is UAJXPPBANFJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33).
What are the key properties of 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 44576659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).