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

C20H25BrN4O2 — CID 18663094

IUPAC4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cccc(Br)c3)CC2)c(OC)nc1C
InChIInChI=1S/C20H25BrN4O2/c1-4-15-12-18(19(27-3)22-14(15)2)23-20(26)25-10-8-24(9-11-25)17-7-5-6-16(21)13-17/h5-7,12-13H,4,8-11H2,1-3H3,(H,23,26)
InChIKeyYGYDFTUMBILTQD-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.08
Rot. Bonds4

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

4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663094) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663094
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cccc(Br)c3)CC2)c(OC)nc1C
InChIInChI=1S/C20H25BrN4O2/c1-4-15-12-18(19(27-3)22-14(15)2)23-20(26)25-10-8-24(9-11-25)17-7-5-6-16(21)13-17/h5-7,12-13H,4,8-11H2,1-3H3,(H,23,26)
InChIKeyYGYDFTUMBILTQD-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-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 18663094) is 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3cccc(Br)c3)CC2)c(OC)nc1C.
What is the InChIKey of 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is YGYDFTUMBILTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c1-4-15-12-18(19(27-3)22-14(15)2)23-20(26)25-10-8-24(9-11-25)17-7-5-6-16(21)13-17/h5-7,12-13H,4,8-11H2,1-3H3,(H,23,26).
What are the key properties of 4-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide?
4-(3-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-(3-bromophenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).