N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide

C19H32N6O4 — CID 87356148

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C19H32N6O4/c1-29-13-12-24-8-10-25(11-9-24)19-21-14-16(15-22-19)18(27)20-7-5-3-2-4-6-17(26)23-28/h14-15,28H,2-13H2,1H3,(H,20,27)(H,23,26)
InChIKeyKLUCUBPRBAQVGH-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.43
Rot. Bonds12

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide (PubChem CID 87356148) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
PubChem CID87356148
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C19H32N6O4/c1-29-13-12-24-8-10-25(11-9-24)19-21-14-16(15-22-19)18(27)20-7-5-3-2-4-6-17(26)23-28/h14-15,28H,2-13H2,1H3,(H,20,27)(H,23,26)
InChIKeyKLUCUBPRBAQVGH-UHFFFAOYSA-N
XLogP0.43
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide (CID 87356148) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide is COCCN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is KLUCUBPRBAQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-29-13-12-24-8-10-25(11-9-24)19-21-14-16(15-22-19)18(27)20-7-5-3-2-4-6-17(26)23-28/h14-15,28H,2-13H2,1H3,(H,20,27)(H,23,26).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 0.43, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 87356148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).