N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

C19H20Cl2N4O3 — CID 4236223

IUPACN-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2,9-15(26)23-14-7-3-6-13(20)17(14)21)10-16(27)24-25-18(28)12-5-4-8-22-11-12/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyTVPRQKHCUODEAN-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.59
Rot. Bonds6

About N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide

N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (PubChem CID 4236223) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
PubChem CID4236223
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
SMILESCC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N4O3/c1-19(2,9-15(26)23-14-7-3-6-13(20)17(14)21)10-16(27)24-25-18(28)12-5-4-8-22-11-12/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyTVPRQKHCUODEAN-UHFFFAOYSA-N
XLogP3.59
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide 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

3,3-dimethyl-5-oxo-N,N-diphenyl-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3968568
3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3888053
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
CID 4922776
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
1-[benzoyl(tert-butyl)amino]-3-(2,3-dichlorophenyl)urea
CID 134112185
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
CID 1225748
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide (CID 4236223) is N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is CC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
The InChIKey is TVPRQKHCUODEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-19(2,9-15(26)23-14-7-3-6-13(20)17(14)21)10-16(27)24-25-18(28)12-5-4-8-22-11-12/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide?
N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide has a molecular weight of 423.30 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3,3-dimethyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide is sourced from PubChem (CID 4236223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).