N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide

C23H29IN6O3 — CID 70317046

IUPACN'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1I
InChIInChI=1S/C23H29IN6O3/c1-23(2,3)16-30(21-19(24)15-26-20(14-25)27-21)28-22(31)17-4-6-18(7-5-17)33-13-10-29-8-11-32-12-9-29/h4-7,15H,8-13,16H2,1-3H3,(H,28,31)
InChIKeyZBCAIOCUDHTQBU-UHFFFAOYSA-N
MW564.43 g/mol
LogP2.86
Rot. Bonds8

About N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide

N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide (PubChem CID 70317046) has the molecular formula C23H29IN6O3 and a molecular weight of 564.43 g/mol. Its IUPAC name is N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide
PubChem CID70317046
Molecular FormulaC23H29IN6O3
Molecular Weight564.43 g/mol
Exact Mass564.13
IUPAC NameN'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide
SMILESCC(C)(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1I
InChIInChI=1S/C23H29IN6O3/c1-23(2,3)16-30(21-19(24)15-26-20(14-25)27-21)28-22(31)17-4-6-18(7-5-17)33-13-10-29-8-11-32-12-9-29/h4-7,15H,8-13,16H2,1-3H3,(H,28,31)
InChIKeyZBCAIOCUDHTQBU-UHFFFAOYSA-N
XLogP2.86
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide;1,1-difluoropropan-2-one
CID 143197064
N'-(5-chloro-2-cyanopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-2-[4-[2-(dipropylamino)ethoxy]phenyl]-2-methylpropanehydrazide
CID 70318321
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
N'-(5-bromo-2-cyanopyrimidin-4-yl)-N'-(2-methylpropyl)-4-(4-propylpiperazin-1-yl)benzohydrazide
CID 46914199
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11373344
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(oxan-4-yl)benzohydrazide
CID 24985370
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[4-(2-ethoxyethyl)piperazin-1-yl]benzamide
CID 11619941
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide?
The IUPAC name of N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide (CID 70317046) is N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide.
What is the SMILES notation for N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide?
The canonical SMILES for N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide is CC(C)(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1I.
What is the InChIKey of N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide?
The InChIKey is ZBCAIOCUDHTQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29IN6O3/c1-23(2,3)16-30(21-19(24)15-26-20(14-25)27-21)28-22(31)17-4-6-18(7-5-17)33-13-10-29-8-11-32-12-9-29/h4-7,15H,8-13,16H2,1-3H3,(H,28,31).
What are the key properties of N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide?
N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide has a molecular weight of 564.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-5-iodopyrimidin-4-yl)-N'-(2,2-dimethylpropyl)-4-(2-morpholin-4-ylethoxy)benzohydrazide is sourced from PubChem (CID 70317046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).