N-(3-methylphenyl)pyridine-2-carbohydrazide

C13H13N3O — CID 154695702

IUPACN-(3-methylphenyl)pyridine-2-carbohydrazide
SMILESCc1cccc(N(N)C(=O)c2ccccn2)c1
InChIInChI=1S/C13H13N3O/c1-10-5-4-6-11(9-10)16(14)13(17)12-7-2-3-8-15-12/h2-9H,14H2,1H3
InChIKeyQUWMEEFMCSQXIR-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.91
Rot. Bonds2

About N-(3-methylphenyl)pyridine-2-carbohydrazide

N-(3-methylphenyl)pyridine-2-carbohydrazide (PubChem CID 154695702) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(3-methylphenyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-(3-methylphenyl)pyridine-2-carbohydrazide
PubChem CID154695702
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(3-methylphenyl)pyridine-2-carbohydrazide
SMILESCc1cccc(N(N)C(=O)c2ccccn2)c1
InChIInChI=1S/C13H13N3O/c1-10-5-4-6-11(9-10)16(14)13(17)12-7-2-3-8-15-12/h2-9H,14H2,1H3
InChIKeyQUWMEEFMCSQXIR-UHFFFAOYSA-N
XLogP1.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carbohydrazide
CID 143510979
N-(4-acetylphenyl)pyridine-2-carbohydrazide
CID 156901438
N-(4-methoxyphenyl)pyridine-2-carbohydrazide
CID 91595717
N-methylpyridine-2-carbohydrazide
CID 45084309
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
N-(3-carbamothioylphenyl)-N-methylpyridine-2-carboxamide
CID 62970625
4-[methyl-(3-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730189
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)pyridine-2-carbohydrazide?
The IUPAC name of N-(3-methylphenyl)pyridine-2-carbohydrazide (CID 154695702) is N-(3-methylphenyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N-(3-methylphenyl)pyridine-2-carbohydrazide?
The canonical SMILES for N-(3-methylphenyl)pyridine-2-carbohydrazide is Cc1cccc(N(N)C(=O)c2ccccn2)c1.
What is the InChIKey of N-(3-methylphenyl)pyridine-2-carbohydrazide?
The InChIKey is QUWMEEFMCSQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-5-4-6-11(9-10)16(14)13(17)12-7-2-3-8-15-12/h2-9H,14H2,1H3.
What are the key properties of N-(3-methylphenyl)pyridine-2-carbohydrazide?
N-(3-methylphenyl)pyridine-2-carbohydrazide has a molecular weight of 227.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 154695702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).