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

C20H25BrN4O2 — CID 18663073

IUPAC4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccccc3Br)CC2)c(OC)nc1C
InChIInChI=1S/C20H25BrN4O2/c1-4-15-13-17(19(27-3)22-14(15)2)23-20(26)25-11-9-24(10-12-25)18-8-6-5-7-16(18)21/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyKALLNTDWSNCMRX-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.08
Rot. Bonds4

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

4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663073) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663073
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccccc3Br)CC2)c(OC)nc1C
InChIInChI=1S/C20H25BrN4O2/c1-4-15-13-17(19(27-3)22-14(15)2)23-20(26)25-11-9-24(10-12-25)18-8-6-5-7-16(18)21/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)
InChIKeyKALLNTDWSNCMRX-UHFFFAOYSA-N
XLogP4.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 18663073) is 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3ccccc3Br)CC2)c(OC)nc1C.
What is the InChIKey of 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is KALLNTDWSNCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c1-4-15-13-17(19(27-3)22-14(15)2)23-20(26)25-11-9-24(10-12-25)18-8-6-5-7-16(18)21/h5-8,13H,4,9-12H2,1-3H3,(H,23,26).
What are the key properties of 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).