N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide

C17H20N6O2 — CID 3223212

IUPACN'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H20N6O2/c1-12-2-9-19-17(20-12)23-10-5-14(6-11-23)16(25)22-21-15(24)13-3-7-18-8-4-13/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyACTARYJNVMLFJA-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.86
Rot. Bonds3

About N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide

N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide (PubChem CID 3223212) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide
PubChem CID3223212
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H20N6O2/c1-12-2-9-19-17(20-12)23-10-5-14(6-11-23)16(25)22-21-15(24)13-3-7-18-8-4-13/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyACTARYJNVMLFJA-UHFFFAOYSA-N
XLogP0.86
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide (CID 3223212) is N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide is Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)n1.
What is the InChIKey of N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide?
The InChIKey is ACTARYJNVMLFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-2-9-19-17(20-12)23-10-5-14(6-11-23)16(25)22-21-15(24)13-3-7-18-8-4-13/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide?
N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide has a molecular weight of 340.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 3223212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).