N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

C18H21N5O2 — CID 24792683

IUPACN'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H21N5O2/c1-13-3-5-14(6-4-13)16(24)21-22-17(25)15-7-11-23(12-8-15)18-19-9-2-10-20-18/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHGFRAPPHCKLKIR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds3

About N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 24792683) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID24792683
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C18H21N5O2/c1-13-3-5-14(6-4-13)16(24)21-22-17(25)15-7-11-23(12-8-15)18-19-9-2-10-20-18/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyHGFRAPPHCKLKIR-UHFFFAOYSA-N
XLogP1.46
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide 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'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 24792683) is N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is HGFRAPPHCKLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-3-5-14(6-4-13)16(24)21-22-17(25)15-7-11-23(12-8-15)18-19-9-2-10-20-18/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 24792683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).