N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide

C16H16ClN3O2 — CID 46662074

IUPACN'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-11-5-6-12(10-13(11)17)7-8-15(21)19-20-16(22)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyJODVRAIFWJPCHZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.44
Rot. Bonds4

About N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide

N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide (PubChem CID 46662074) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
PubChem CID46662074
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-11-5-6-12(10-13(11)17)7-8-15(21)19-20-16(22)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyJODVRAIFWJPCHZ-UHFFFAOYSA-N
XLogP2.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3-chloro-4-methylphenyl)propanoyl]quinoline-2-carbohydrazide
CID 35070266
N'-[3-(2-hydroxyphenyl)propanoyl]pyridine-2-carbohydrazide
CID 27662045
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719
3-(3-chloro-4-methylphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60967807
N'-[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]pyridine-2-carbohydrazide
CID 24537801
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide (CID 46662074) is N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide is Cc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1Cl.
What is the InChIKey of N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide?
The InChIKey is JODVRAIFWJPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-5-6-12(10-13(11)17)7-8-15(21)19-20-16(22)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide?
N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide has a molecular weight of 317.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 46662074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).