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

C18H21N5O2 — CID 24792381

IUPACN'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c1-13-5-2-3-6-15(13)17(25)22-21-16(24)14-7-11-23(12-8-14)18-19-9-4-10-20-18/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyUITTWBVBMVWPBM-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds3

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

N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 24792381) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID24792381
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O2/c1-13-5-2-3-6-15(13)17(25)22-21-16(24)14-7-11-23(12-8-14)18-19-9-4-10-20-18/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyUITTWBVBMVWPBM-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 24792381) is N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is UITTWBVBMVWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-5-2-3-6-15(13)17(25)22-21-16(24)14-7-11-23(12-8-14)18-19-9-4-10-20-18/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-(2-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'-(2-methylbenzoyl)-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 24792381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).