6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide

C17H20N4O2 — CID 173099499

IUPAC6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cccc(C(N)=O)n3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(19-16)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyZUGUWUZCKHDFCB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.52
Rot. Bonds4

About 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide

6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 173099499) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID173099499
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1ccc(N2CCN(c3cccc(C(N)=O)n3)CC2)cc1
InChIInChI=1S/C17H20N4O2/c1-23-14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(19-16)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyZUGUWUZCKHDFCB-UHFFFAOYSA-N
XLogP1.52
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 163578715
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
2-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-8-ol
CID 82107926
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053018
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 68909471
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 87704248

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 173099499) is 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide is COc1ccc(N2CCN(c3cccc(C(N)=O)n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZUGUWUZCKHDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-14-7-5-13(6-8-14)20-9-11-21(12-10-20)16-4-2-3-15(19-16)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22).
What are the key properties of 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 173099499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).