N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide

C17H21ClN4O — CID 143197031

IUPACN'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(CCC(C)C)c2ccnc(Cl)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-12(2)9-11-22(15-8-10-19-17(18)20-15)21-16(23)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3,(H,21,23)
InChIKeyXGKNGEDFLXVURF-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.64
Rot. Bonds6

About N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide

N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide (PubChem CID 143197031) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide
PubChem CID143197031
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide
SMILESCc1ccc(C(=O)NN(CCC(C)C)c2ccnc(Cl)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-12(2)9-11-22(15-8-10-19-17(18)20-15)21-16(23)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3,(H,21,23)
InChIKeyXGKNGEDFLXVURF-UHFFFAOYSA-N
XLogP3.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide?
The IUPAC name of N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide (CID 143197031) is N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide.
What is the SMILES notation for N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide?
The canonical SMILES for N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide is Cc1ccc(C(=O)NN(CCC(C)C)c2ccnc(Cl)n2)cc1.
What is the InChIKey of N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide?
The InChIKey is XGKNGEDFLXVURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12(2)9-11-22(15-8-10-19-17(18)20-15)21-16(23)14-6-4-13(3)5-7-14/h4-8,10,12H,9,11H2,1-3H3,(H,21,23).
What are the key properties of N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide?
N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide has a molecular weight of 332.84 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloropyrimidin-4-yl)-4-methyl-N'-(3-methylbutyl)benzohydrazide is sourced from PubChem (CID 143197031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).