N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide

C16H18N6O2 — CID 3223146

IUPACN'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccncc1
InChIInChI=1S/C16H18N6O2/c23-14(12-2-8-17-9-3-12)20-21-15(24)13-4-10-22(11-5-13)16-18-6-1-7-19-16/h1-3,6-9,13H,4-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyZNSRMZPYOBIMRF-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.55
Rot. Bonds3

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

N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide (PubChem CID 3223146) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide
PubChem CID3223146
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccncc1
InChIInChI=1S/C16H18N6O2/c23-14(12-2-8-17-9-3-12)20-21-15(24)13-4-10-22(11-5-13)16-18-6-1-7-19-16/h1-3,6-9,13H,4-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyZNSRMZPYOBIMRF-UHFFFAOYSA-N
XLogP0.55
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.55
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-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide (CID 3223146) is N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide is O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccncc1.
What is the InChIKey of N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is ZNSRMZPYOBIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-14(12-2-8-17-9-3-12)20-21-15(24)13-4-10-22(11-5-13)16-18-6-1-7-19-16/h1-3,6-9,13H,4-5,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide?
N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 326.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-pyrimidin-2-ylpiperidine-4-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 3223146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).