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

C24H24Cl3N5O — CID 11949613

IUPAC1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1
InChIInChI=1S/C24H24Cl3N5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-5-16(25)6-4-15)22(31-20)18-8-7-17(26)13-19(18)27/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)
InChIKeySVHKZTWQMXJLAD-UHFFFAOYSA-N
MW504.85 g/mol
LogP5.20
Rot. Bonds6

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

1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 11949613) has the molecular formula C24H24Cl3N5O and a molecular weight of 504.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID11949613
Molecular FormulaC24H24Cl3N5O
Molecular Weight504.85 g/mol
Exact Mass503.10
IUPAC Name1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1
InChIInChI=1S/C24H24Cl3N5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-5-16(25)6-4-15)22(31-20)18-8-7-17(26)13-19(18)27/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)
InChIKeySVHKZTWQMXJLAD-UHFFFAOYSA-N
XLogP5.20
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 11949613) is 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is SVHKZTWQMXJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-5-16(25)6-4-15)22(31-20)18-8-7-17(26)13-19(18)27/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33).
What are the key properties of 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 504.85 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 11949613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).