N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide

C19H25N5O3 — CID 53339059

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1
InChIInChI=1S/C19H25N5O3/c1-24(16-9-5-4-6-10-16)19-21-13-15(14-22-19)18(26)20-12-8-3-2-7-11-17(25)23-27/h4-6,9-10,13-14,27H,2-3,7-8,11-12H2,1H3,(H,20,26)(H,23,25)
InChIKeyNEQSCJOXQFZLMR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.43
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide (PubChem CID 53339059) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
PubChem CID53339059
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1
InChIInChI=1S/C19H25N5O3/c1-24(16-9-5-4-6-10-16)19-21-13-15(14-22-19)18(26)20-12-8-3-2-7-11-17(25)23-27/h4-6,9-10,13-14,27H,2-3,7-8,11-12H2,1H3,(H,20,26)(H,23,25)
InChIKeyNEQSCJOXQFZLMR-UHFFFAOYSA-N
XLogP2.43
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(N-methylanilino)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

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide (CID 53339059) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide is CN(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is NEQSCJOXQFZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-24(16-9-5-4-6-10-16)19-21-13-15(14-22-19)18(26)20-12-8-3-2-7-11-17(25)23-27/h4-6,9-10,13-14,27H,2-3,7-8,11-12H2,1H3,(H,20,26)(H,23,25).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 53339059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).