N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide

C16H15ClN4O — CID 16763441

IUPACN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)c1
InChIInChI=1S/C16H15ClN4O/c1-10-5-4-6-12(7-10)16(22)20-21(3)14-8-11(2)13(9-18)15(17)19-14/h4-8H,1-3H3,(H,20,22)
InChIKeyVKGRSELYMUYSOG-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.00
Rot. Bonds3

About N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide

N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide (PubChem CID 16763441) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide
PubChem CID16763441
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC NameN'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)c1
InChIInChI=1S/C16H15ClN4O/c1-10-5-4-6-12(7-10)16(22)20-21(3)14-8-11(2)13(9-18)15(17)19-14/h4-8H,1-3H3,(H,20,22)
InChIKeyVKGRSELYMUYSOG-UHFFFAOYSA-N
XLogP3.00
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyano-3-methylbenzamide
CID 79195079
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N',3-dimethyl-N'-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]benzohydrazide
CID 6411702
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide?
The IUPAC name of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide (CID 16763441) is N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide.
What is the SMILES notation for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide?
The canonical SMILES for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide is Cc1cccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)c1.
What is the InChIKey of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide?
The InChIKey is VKGRSELYMUYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-10-5-4-6-12(7-10)16(22)20-21(3)14-8-11(2)13(9-18)15(17)19-14/h4-8H,1-3H3,(H,20,22).
What are the key properties of N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide?
N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide has a molecular weight of 314.78 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-5-cyano-4-methyl-2-pyridinyl)-N',3-dimethylbenzohydrazide is sourced from PubChem (CID 16763441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).