N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide

C21H24N8O — CID 19139326

IUPACN'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N8O/c22-18-19(26-27-21(30)17-7-4-8-23-13-17)24-15-25-20(18)29-11-9-28(10-12-29)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14,22H2,(H,27,30)(H,24,25,26)
InChIKeyVNLSMNFTFYWRND-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.53
Rot. Bonds6

About N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19139326) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19139326
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESNc1c(NNC(=O)c2cccnc2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N8O/c22-18-19(26-27-21(30)17-7-4-8-23-13-17)24-15-25-20(18)29-11-9-28(10-12-29)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14,22H2,(H,27,30)(H,24,25,26)
InChIKeyVNLSMNFTFYWRND-UHFFFAOYSA-N
XLogP1.53
TPSA112.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19139319
methyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19151931
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
ethyl 1-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142287
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
N'-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19138613
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19139326) is N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide is Nc1c(NNC(=O)c2cccnc2)ncnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is VNLSMNFTFYWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c22-18-19(26-27-21(30)17-7-4-8-23-13-17)24-15-25-20(18)29-11-9-28(10-12-29)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14,22H2,(H,27,30)(H,24,25,26).
What are the key properties of N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 404.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).