N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide

C22H25N7O — CID 19139500

IUPACN'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccn2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N7O/c23-19-20(27-28-22(30)18-8-4-5-11-24-18)25-15-26-21(19)29-12-9-17(10-13-29)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14,23H2,(H,28,30)(H,25,26,27)
InChIKeyQKIZMEDEMZGHFU-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.67
Rot. Bonds6

About N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 19139500) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID19139500
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESNc1c(NNC(=O)c2ccccn2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N7O/c23-19-20(27-28-22(30)18-8-4-5-11-24-18)25-15-26-21(19)29-12-9-17(10-13-29)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14,23H2,(H,28,30)(H,25,26,27)
InChIKeyQKIZMEDEMZGHFU-UHFFFAOYSA-N
XLogP2.67
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
1-[3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547393
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19139326
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19139319
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
N'-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-2-bromobenzohydrazide
CID 23491433
ethyl 3-[[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19139525
methyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19152070
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421
N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19140355

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 19139500) is N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide is Nc1c(NNC(=O)c2ccccn2)ncnc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is QKIZMEDEMZGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c23-19-20(27-28-22(30)18-8-4-5-11-24-18)25-15-26-21(19)29-12-9-17(10-13-29)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14,23H2,(H,28,30)(H,25,26,27).
What are the key properties of N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 403.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 19139500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).