N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide

C17H18ClN3O3 — CID 24819773

IUPACN'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
SMILESCc1cc(OCCCC(=O)NNC(=O)c2ccncc2)ccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12-11-14(4-5-15(12)18)24-10-2-3-16(22)20-21-17(23)13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGTIRTLDHBFXTJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.66
Rot. Bonds6

About N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide

N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide (PubChem CID 24819773) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
PubChem CID24819773
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
SMILESCc1cc(OCCCC(=O)NNC(=O)c2ccncc2)ccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12-11-14(4-5-15(12)18)24-10-2-3-16(22)20-21-17(23)13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyUGTIRTLDHBFXTJ-UHFFFAOYSA-N
XLogP2.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353570
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
N'-[2-(benzimidazol-1-yl)acetyl]-4-(4-chloro-3-methylphenoxy)butanehydrazide
CID 2449865
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide (CID 24819773) is N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide is Cc1cc(OCCCC(=O)NNC(=O)c2ccncc2)ccc1Cl.
What is the InChIKey of N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide?
The InChIKey is UGTIRTLDHBFXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-11-14(4-5-15(12)18)24-10-2-3-16(22)20-21-17(23)13-6-8-19-9-7-13/h4-9,11H,2-3,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide?
N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide has a molecular weight of 347.80 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide is sourced from PubChem (CID 24819773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).