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

C17H20N6O2 — CID 17429033

IUPACN'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N6O2/c1-13-3-5-14(6-4-13)15(24)20-21-17(25)23-11-9-22(10-12-23)16-18-7-2-8-19-16/h2-8H,9-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyUKSPBXVFDFIRBF-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.96
Rot. Bonds2

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

N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide (PubChem CID 17429033) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
PubChem CID17429033
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H20N6O2/c1-13-3-5-14(6-4-13)15(24)20-21-17(25)23-11-9-22(10-12-23)16-18-7-2-8-19-16/h2-8H,9-12H2,1H3,(H,20,24)(H,21,25)
InChIKeyUKSPBXVFDFIRBF-UHFFFAOYSA-N
XLogP0.96
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.96
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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Related Compounds

N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 26758333
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
2-(4-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4803568
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
(E)-3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 896401
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide (CID 17429033) is N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide is Cc1ccc(C(=O)NNC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide?
The InChIKey is UKSPBXVFDFIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-13-3-5-14(6-4-13)15(24)20-21-17(25)23-11-9-22(10-12-23)16-18-7-2-8-19-16/h2-8H,9-12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide?
N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide has a molecular weight of 340.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-4-pyrimidin-2-ylpiperazine-1-carbohydrazide is sourced from PubChem (CID 17429033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).