N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide

C23H27ClN6O2 — CID 24983596

IUPACN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide
SMILESN#Cc1ncc(Cl)c(N(NC(=O)c2ccc(CN3CCC(O)CC3)cc2)C2CCCC2)n1
InChIInChI=1S/C23H27ClN6O2/c24-20-14-26-21(13-25)27-22(20)30(18-3-1-2-4-18)28-23(32)17-7-5-16(6-8-17)15-29-11-9-19(31)10-12-29/h5-8,14,18-19,31H,1-4,9-12,15H2,(H,28,32)
InChIKeyHQOUMFNLOVAZAH-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.05
Rot. Bonds6

About N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide

N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide (PubChem CID 24983596) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide
PubChem CID24983596
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide
SMILESN#Cc1ncc(Cl)c(N(NC(=O)c2ccc(CN3CCC(O)CC3)cc2)C2CCCC2)n1
InChIInChI=1S/C23H27ClN6O2/c24-20-14-26-21(13-25)27-22(20)30(18-3-1-2-4-18)28-23(32)17-7-5-16(6-8-17)15-29-11-9-19(31)10-12-29/h5-8,14,18-19,31H,1-4,9-12,15H2,(H,28,32)
InChIKeyHQOUMFNLOVAZAH-UHFFFAOYSA-N
XLogP3.05
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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'-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 24984065
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-cyclohexyl-4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]benzohydrazide
CID 24985026
N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(oxan-4-yl)benzohydrazide
CID 24985370
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 68536477
N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-(bromomethyl)-N'-cyclopentylbenzohydrazide
CID 59142658
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 68535786
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-[(3-methylpyrrolidin-1-yl)methyl]benzohydrazide
CID 143419515
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(heptylamino)methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 68839927
N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-[[4-(4-cyanophenyl)piperazin-1-yl]methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419529
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide
CID 70316326
N'-(2-cyano-5-hydroxypyrimidin-4-yl)-4-[(3-hydroxypyrrolidin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419540

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide (CID 24983596) is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide is N#Cc1ncc(Cl)c(N(NC(=O)c2ccc(CN3CCC(O)CC3)cc2)C2CCCC2)n1.
What is the InChIKey of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is HQOUMFNLOVAZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c24-20-14-26-21(13-25)27-22(20)30(18-3-1-2-4-18)28-23(32)17-7-5-16(6-8-17)15-29-11-9-19(31)10-12-29/h5-8,14,18-19,31H,1-4,9-12,15H2,(H,28,32).
What are the key properties of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide?
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 454.96 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 24983596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).