4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide

C20H24Br2N4O2 — CID 18663069

IUPAC4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(Br)ccc3Br)CC2)c(OC)nc1C
InChIInChI=1S/C20H24Br2N4O2/c1-4-14-11-17(19(28-3)23-13(14)2)24-20(27)26-9-7-25(8-10-26)18-12-15(21)5-6-16(18)22/h5-6,11-12H,4,7-10H2,1-3H3,(H,24,27)
InChIKeyFQCOADWERSXPSE-UHFFFAOYSA-N
MW512.25 g/mol
LogP4.84
Rot. Bonds4

About 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide

4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663069) has the molecular formula C20H24Br2N4O2 and a molecular weight of 512.25 g/mol. Its IUPAC name is 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663069
Molecular FormulaC20H24Br2N4O2
Molecular Weight512.25 g/mol
Exact Mass510.03
IUPAC Name4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(Br)ccc3Br)CC2)c(OC)nc1C
InChIInChI=1S/C20H24Br2N4O2/c1-4-14-11-17(19(28-3)23-13(14)2)24-20(27)26-9-7-25(8-10-26)18-12-15(21)5-6-16(18)22/h5-6,11-12H,4,7-10H2,1-3H3,(H,24,27)
InChIKeyFQCOADWERSXPSE-UHFFFAOYSA-N
XLogP4.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 18663069) is 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3cc(Br)ccc3Br)CC2)c(OC)nc1C.
What is the InChIKey of 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is FQCOADWERSXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2N4O2/c1-4-14-11-17(19(28-3)23-13(14)2)24-20(27)26-9-7-25(8-10-26)18-12-15(21)5-6-16(18)22/h5-6,11-12H,4,7-10H2,1-3H3,(H,24,27).
What are the key properties of 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 512.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).