N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide

C23H29ClN6O3 — CID 46914342

IUPACN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide
SMILESCC(C)CN(NC(=O)Cc1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C23H29ClN6O3/c1-17(2)16-30(23-20(24)15-26-21(14-25)27-23)28-22(31)13-18-3-5-19(6-4-18)33-12-9-29-7-10-32-11-8-29/h3-6,15,17H,7-13,16H2,1-2H3,(H,28,31)
InChIKeyVFXXZUPFKXXYPS-UHFFFAOYSA-N
MW472.98 g/mol
LogP2.45
Rot. Bonds10

About N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide

N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide (PubChem CID 46914342) has the molecular formula C23H29ClN6O3 and a molecular weight of 472.98 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide
PubChem CID46914342
Molecular FormulaC23H29ClN6O3
Molecular Weight472.98 g/mol
Exact Mass472.20
IUPAC NameN'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide
SMILESCC(C)CN(NC(=O)Cc1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1Cl
InChIInChI=1S/C23H29ClN6O3/c1-17(2)16-30(23-20(24)15-26-21(14-25)27-23)28-22(31)13-18-3-5-19(6-4-18)33-12-9-29-7-10-32-11-8-29/h3-6,15,17H,7-13,16H2,1-2H3,(H,28,31)
InChIKeyVFXXZUPFKXXYPS-UHFFFAOYSA-N
XLogP2.45
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide?
The IUPAC name of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide (CID 46914342) is N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide.
What is the SMILES notation for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide?
The canonical SMILES for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide is CC(C)CN(NC(=O)Cc1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1Cl.
What is the InChIKey of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide?
The InChIKey is VFXXZUPFKXXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O3/c1-17(2)16-30(23-20(24)15-26-21(14-25)27-23)28-22(31)13-18-3-5-19(6-4-18)33-12-9-29-7-10-32-11-8-29/h3-6,15,17H,7-13,16H2,1-2H3,(H,28,31).
What are the key properties of N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide?
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide has a molecular weight of 472.98 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 46914342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).