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

C17H28N6O3 — CID 87356065

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C17H28N6O3/c1-22-8-10-23(11-9-22)17-19-12-14(13-20-17)16(25)18-7-5-3-2-4-6-15(24)21-26/h12-13,26H,2-11H2,1H3,(H,18,25)(H,21,24)
InChIKeyLQKVGVHGQQSYTH-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.41
Rot. Bonds9

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

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 87356065) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID87356065
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C17H28N6O3/c1-22-8-10-23(11-9-22)17-19-12-14(13-20-17)16(25)18-7-5-3-2-4-6-15(24)21-26/h12-13,26H,2-11H2,1H3,(H,18,25)(H,21,24)
InChIKeyLQKVGVHGQQSYTH-UHFFFAOYSA-N
XLogP0.41
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.41
H-Bond Donors ≤ 53
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'}

Analyze N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-methylpiperidin-1-yl)propylamino]-N-(2-methylpropyl)-4-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 45489239
2-(cyclohexylamino)-N-hydroxypyrimidine-5-carboxamide
CID 57382287
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(2-(hydroxymethyl)morpholino)pyrimidine-5-carboxamide [177]
CID 87356103
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperidin-1-yl)pyrimidine-5-carboxamide [187]
CID 87356117
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-(2-methoxyethyl)piperazin-1-yl)pyrimidine-5-carboxamide [175]
CID 87356148
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)pyrimidine-5-carboxamide [170]
CID 87356155
US8609678, 2-((2S,6R)-2,6-dimethylmorpholino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [167]
CID 87356218
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperazin-1-yl)pyrimidine-5-carboxamide [168]
CID 87356244
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-morpholinopyrimidine-5-carboxamide [166]
CID 87356364
US8609678, 2-(4-carbamoylpiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [179]
CID 87356436
US8609678, 2-(1,4-diazepan-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [186]
CID 87365548
US8609678, (R)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [182]
CID 88055360

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 87356065) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is CN1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is LQKVGVHGQQSYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-22-8-10-23(11-9-22)17-19-12-14(13-20-17)16(25)18-7-5-3-2-4-6-15(24)21-26/h12-13,26H,2-11H2,1H3,(H,18,25)(H,21,24).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 87356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).