2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide

C20H23N5O4 — CID 87481327

IUPAC2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2N2CCN(C(=O)CNC=O)CC2)ccn1
InChIInChI=1S/C20H23N5O4/c1-29-18-12-15(6-7-22-18)23-20(28)16-4-2-3-5-17(16)24-8-10-25(11-9-24)19(27)13-21-14-26/h2-7,12,14H,8-11,13H2,1H3,(H,21,26)(H,22,23,28)
InChIKeyLUANPDVFZYOPGL-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.74
Rot. Bonds7

About 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide

2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide (PubChem CID 87481327) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
PubChem CID87481327
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2N2CCN(C(=O)CNC=O)CC2)ccn1
InChIInChI=1S/C20H23N5O4/c1-29-18-12-15(6-7-22-18)23-20(28)16-4-2-3-5-17(16)24-8-10-25(11-9-24)19(27)13-21-14-26/h2-7,12,14H,8-11,13H2,1H3,(H,21,26)(H,22,23,28)
InChIKeyLUANPDVFZYOPGL-UHFFFAOYSA-N
XLogP0.74
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548845
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548921
1-[4-[2-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]-2-(pyridin-4-ylamino)ethanone
CID 59564333
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-methoxybenzamide
CID 3161538
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
3,4-dimethoxy-N-[(2R)-1-oxo-1-[4-[2-(pyridin-3-ylcarbamoyl)phenyl]piperazin-1-yl]propan-2-yl]benzamide
CID 59548832
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chloropyridine-3-carboxamide
CID 5185889
4-(2-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111148470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The IUPAC name of 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide (CID 87481327) is 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide is COc1cc(NC(=O)c2ccccc2N2CCN(C(=O)CNC=O)CC2)ccn1.
What is the InChIKey of 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
The InChIKey is LUANPDVFZYOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-29-18-12-15(6-7-22-18)23-20(28)16-4-2-3-5-17(16)24-8-10-25(11-9-24)19(27)13-21-14-26/h2-7,12,14H,8-11,13H2,1H3,(H,21,26)(H,22,23,28).
What are the key properties of 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide?
2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide has a molecular weight of 397.44 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 87481327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).