N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide

C18H22N6O2 — CID 3224266

IUPACN'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NNC(=O)c3ccncc3)C2)n1
InChIInChI=1S/C18H22N6O2/c1-12-10-13(2)21-18(20-12)24-9-3-4-15(11-24)17(26)23-22-16(25)14-5-7-19-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVNGCICOCTQRSTE-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.17
Rot. Bonds3

About N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide

N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide (PubChem CID 3224266) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide
PubChem CID3224266
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NNC(=O)c3ccncc3)C2)n1
InChIInChI=1S/C18H22N6O2/c1-12-10-13(2)21-18(20-12)24-9-3-4-15(11-24)17(26)23-22-16(25)14-5-7-19-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVNGCICOCTQRSTE-UHFFFAOYSA-N
XLogP1.17
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.17
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-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide (CID 3224266) is N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide is Cc1cc(C)nc(N2CCCC(C(=O)NNC(=O)c3ccncc3)C2)n1.
What is the InChIKey of N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide?
The InChIKey is VNGCICOCTQRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-12-10-13(2)21-18(20-12)24-9-3-4-15(11-24)17(26)23-22-16(25)14-5-7-19-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide?
N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide has a molecular weight of 354.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 3224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).