N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide

C16H26N6O3 — CID 87356244

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCNCC2)nc1)NO
InChIInChI=1S/C16H26N6O3/c23-14(21-25)5-3-1-2-4-6-18-15(24)13-11-19-16(20-12-13)22-9-7-17-8-10-22/h11-12,17,25H,1-10H2,(H,18,24)(H,21,23)
InChIKeyZAUYORXMGKSDEK-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.07
Rot. Bonds9

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide (PubChem CID 87356244) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
PubChem CID87356244
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCNCC2)nc1)NO
InChIInChI=1S/C16H26N6O3/c23-14(21-25)5-3-1-2-4-6-18-15(24)13-11-19-16(20-12-13)22-9-7-17-8-10-22/h11-12,17,25H,1-10H2,(H,18,24)(H,21,23)
InChIKeyZAUYORXMGKSDEK-UHFFFAOYSA-N
XLogP0.07
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide (CID 87356244) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(N2CCNCC2)nc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZAUYORXMGKSDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c23-14(21-25)5-3-1-2-4-6-18-15(24)13-11-19-16(20-12-13)22-9-7-17-8-10-22/h11-12,17,25H,1-10H2,(H,18,24)(H,21,23).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.07, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-piperazin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 87356244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).