N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide

C16H14Cl2N4O3 — CID 4922776

IUPACN-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1
InChIInChI=1S/C16H14Cl2N4O3/c17-11-3-4-13(12(18)8-11)20-14(23)5-6-15(24)21-22-16(25)10-2-1-7-19-9-10/h1-4,7-9H,5-6H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRDSUMBRPNPZHMN-UHFFFAOYSA-N
MW381.22 g/mol
LogP2.57
Rot. Bonds5

About N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide

N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide (PubChem CID 4922776) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
PubChem CID4922776
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC NameN-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1
InChIInChI=1S/C16H14Cl2N4O3/c17-11-3-4-13(12(18)8-11)20-14(23)5-6-15(24)21-22-16(25)10-2-1-7-19-9-10/h1-4,7-9H,5-6H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyRDSUMBRPNPZHMN-UHFFFAOYSA-N
XLogP2.57
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-butoxybenzoyl)hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
CID 4956746
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
methyl N-[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamate
CID 4928103
1-(4-chloro-2-methylphenyl)-3-(pyridine-3-carbonylamino)thiourea
CID 1490574
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(4-propoxybenzoyl)hydrazinyl]butanamide
CID 4938660
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
2-chloro-N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
CID 3540219
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide (CID 4922776) is N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide is O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cccnc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide?
The InChIKey is RDSUMBRPNPZHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c17-11-3-4-13(12(18)8-11)20-14(23)5-6-15(24)21-22-16(25)10-2-1-7-19-9-10/h1-4,7-9H,5-6H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide?
N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide has a molecular weight of 381.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-oxo-4-[2-(pyridine-3-carbonyl)hydrazinyl]butanamide is sourced from PubChem (CID 4922776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).