N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide

C19H23N5O2 — CID 3223217

IUPACN'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-3-4-6-16(13)18(26)23-22-17(25)15-8-11-24(12-9-15)19-20-10-7-14(2)21-19/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyULBMYCNMWSAZPM-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.77
Rot. Bonds3

About N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide

N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (PubChem CID 3223217) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
PubChem CID3223217
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C19H23N5O2/c1-13-5-3-4-6-16(13)18(26)23-22-17(25)15-8-11-24(12-9-15)19-20-10-7-14(2)21-19/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyULBMYCNMWSAZPM-UHFFFAOYSA-N
XLogP1.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.77
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-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (CID 3223217) is N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is ULBMYCNMWSAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-5-3-4-6-16(13)18(26)23-22-17(25)15-8-11-24(12-9-15)19-20-10-7-14(2)21-19/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
N'-(2-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 353.43 g/mol, XLogP of 1.77, 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-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3223217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).