N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide

C13H12Cl2N4O — CID 81256534

IUPACN-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N4O/c1-7-2-12(19-16)11(6-17-7)13(20)18-10-4-8(14)3-9(15)5-10/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyGVEXZPGPXZXXEP-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.23
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide

N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide (PubChem CID 81256534) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
PubChem CID81256534
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC NameN-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N4O/c1-7-2-12(19-16)11(6-17-7)13(20)18-10-4-8(14)3-9(15)5-10/h2-6H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyGVEXZPGPXZXXEP-UHFFFAOYSA-N
XLogP3.23
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide (CID 81256534) is N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide is Cc1cc(NN)c(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The InChIKey is GVEXZPGPXZXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c1-7-2-12(19-16)11(6-17-7)13(20)18-10-4-8(14)3-9(15)5-10/h2-6H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide?
N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81256534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).