N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide

C21H25ClN6O2 — CID 70316326

IUPACN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(CN2CCOCC2)cc1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-15(2)13-28(20-18(22)12-24-19(11-23)25-20)26-21(29)17-5-3-16(4-6-17)14-27-7-9-30-10-8-27/h3-6,12,15H,7-10,13-14H2,1-2H3,(H,26,29)
InChIKeyRFVMQAZVVPTTKS-UHFFFAOYSA-N
MW428.92 g/mol
LogP2.64
Rot. Bonds7

About N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide

N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide (PubChem CID 70316326) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide
PubChem CID70316326
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide
SMILESCC(C)CN(NC(=O)c1ccc(CN2CCOCC2)cc1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C21H25ClN6O2/c1-15(2)13-28(20-18(22)12-24-19(11-23)25-20)26-21(29)17-5-3-16(4-6-17)14-27-7-9-30-10-8-27/h3-6,12,15H,7-10,13-14H2,1-2H3,(H,26,29)
InChIKeyRFVMQAZVVPTTKS-UHFFFAOYSA-N
XLogP2.64
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.64
H-Bond Donors ≤ 51
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-(4-cyanophenyl)piperazin-1-yl]methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419529
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-[(3-methylpyrrolidin-1-yl)methyl]benzohydrazide
CID 143419515
N'-(2-cyano-5-ethenylpyrimidin-4-yl)-4-(2,5-dihydropyrrol-1-ylmethyl)-N'-(2-methylpropyl)benzohydrazide
CID 70316671
N'-(5-chloro-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(oxan-4-yl)benzohydrazide
CID 24983593
N'-(2-cyano-5-hydroxypyrimidin-4-yl)-4-[(3-hydroxypyrrolidin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419540
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-[[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl]benzohydrazide;2,2,2-trifluoroacetic acid
CID 69499908
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-cyclopentyl-4-[(4-hydroxypiperidin-1-yl)methyl]benzohydrazide
CID 24983596
N'-(2-cyano-5-hydroxypyrimidin-4-yl)-4-[(4,5-diphenylimidazol-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide
CID 143419543
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
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)naphthalene-2-carbohydrazide
CID 46914475
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide?
The IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide (CID 70316326) is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide?
The canonical SMILES for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide is CC(C)CN(NC(=O)c1ccc(CN2CCOCC2)cc1)c1nc(C#N)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide?
The InChIKey is RFVMQAZVVPTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-15(2)13-28(20-18(22)12-24-19(11-23)25-20)26-21(29)17-5-3-16(4-6-17)14-27-7-9-30-10-8-27/h3-6,12,15H,7-10,13-14H2,1-2H3,(H,26,29).
What are the key properties of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide?
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide has a molecular weight of 428.92 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 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'-(2-methylpropyl)-4-(morpholin-4-ylmethyl)benzohydrazide is sourced from PubChem (CID 70316326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).