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

C24H25Cl2N5O — CID 11998407

IUPAC1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32)
InChIKeyUSZBOFHHUIVKCR-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.55
Rot. Bonds6

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

1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 11998407) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID11998407
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32)
InChIKeyUSZBOFHHUIVKCR-UHFFFAOYSA-N
XLogP4.55
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 11998407) is 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is USZBOFHHUIVKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32).
What are the key properties of 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 11998407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).