N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide

C24H33N7O2 — CID 143419560

IUPACN'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide
SMILESCCCN1CCN(c2ccc(C(=O)NN(CC(C)(C)C)c3nc(C#N)ncc3O)cc2)CC1
InChIInChI=1S/C24H33N7O2/c1-5-10-29-11-13-30(14-12-29)19-8-6-18(7-9-19)23(33)28-31(17-24(2,3)4)22-20(32)16-26-21(15-25)27-22/h6-9,16,32H,5,10-14,17H2,1-4H3,(H,28,33)
InChIKeyKAERUSLIXJHDKN-UHFFFAOYSA-N
MW451.58 g/mol
LogP2.78
Rot. Bonds7

About N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide

N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide (PubChem CID 143419560) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide
PubChem CID143419560
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC NameN'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide
SMILESCCCN1CCN(c2ccc(C(=O)NN(CC(C)(C)C)c3nc(C#N)ncc3O)cc2)CC1
InChIInChI=1S/C24H33N7O2/c1-5-10-29-11-13-30(14-12-29)19-8-6-18(7-9-19)23(33)28-31(17-24(2,3)4)22-20(32)16-26-21(15-25)27-22/h6-9,16,32H,5,10-14,17H2,1-4H3,(H,28,33)
InChIKeyKAERUSLIXJHDKN-UHFFFAOYSA-N
XLogP2.78
TPSA108.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
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-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide
CID 46914199
N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide
CID 70317046
N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[4-(2-ethoxyethyl)piperazin-1-yl]benzamide
CID 11619941
N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419529
N'-(2-cyano-5-hydroxypyrimidin-4-yl)-4-[(3-hydroxypyrrolidin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419540
N-[[4-[2,2-bis(methylsulfonyl)propylamino]-2-cyanopyrimidin-5-yl]methyl]-4-(4-ethylpiperazin-1-yl)benzamide
CID 87932844
N-[(5-bromo-2-cyanopyrimidin-4-yl)-cyclohexylamino]formamide;3-fluoro-3-methylbutan-2-one;1-(4-methylphenyl)-4-propylpiperazine
CID 143664074
N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(oxan-4-yl)benzohydrazide
CID 24983593
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(cyclopentylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 15979038
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 70316326
N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(oxan-4-yl)benzohydrazide
CID 24985370
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(furan-3-ylmethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 46914338

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide?
The IUPAC name of N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide (CID 143419560) is N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide.
What is the SMILES notation for N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide?
The canonical SMILES for N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide is CCCN1CCN(c2ccc(C(=O)NN(CC(C)(C)C)c3nc(C#N)ncc3O)cc2)CC1.
What is the InChIKey of N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide?
The InChIKey is KAERUSLIXJHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-5-10-29-11-13-30(14-12-29)19-8-6-18(7-9-19)23(33)28-31(17-24(2,3)4)22-20(32)16-26-21(15-25)27-22/h6-9,16,32H,5,10-14,17H2,1-4H3,(H,28,33).
What are the key properties of N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide?
N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide has a molecular weight of 451.58 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-5-hydroxypyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide is sourced from PubChem (CID 143419560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).