4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide

C17H20N4O2 — CID 133313294

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1cccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)20-7-9-21(10-8-20)14-5-6-19-16(12-14)17(18)22/h2-6,11-12H,7-10H2,1H3,(H2,18,22)
InChIKeyUKTKQVSEYLVSLI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.52
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide

4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 133313294) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID133313294
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCOc1cccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)20-7-9-21(10-8-20)14-5-6-19-16(12-14)17(18)22/h2-6,11-12H,7-10H2,1H3,(H2,18,22)
InChIKeyUKTKQVSEYLVSLI-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

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Related Compounds

N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 133313581
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
4-(2-carbamoyl-4-pyridinyl)-N,N-dimethylpiperazine-1-carboxamide
CID 133313833
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-[4-(3-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 66455314
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 133313294) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide is COc1cccc(N2CCN(c3ccnc(C(N)=O)c3)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is UKTKQVSEYLVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)20-7-9-21(10-8-20)14-5-6-19-16(12-14)17(18)22/h2-6,11-12H,7-10H2,1H3,(H2,18,22).
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide?
4-[4-(3-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 4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 133313294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).