N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide

C19H23N3O2 — CID 18961985

IUPACN-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccncc2)C(C)(C)C)c1C
InChIInChI=1S/C19H23N3O2/c1-13-7-6-8-16(14(13)2)17(23)21-22(19(3,4)5)18(24)15-9-11-20-12-10-15/h6-12H,1-5H3,(H,21,23)
InChIKeyITXSIQLWZONJSY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds2

About N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide

N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide (PubChem CID 18961985) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
PubChem CID18961985
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2ccncc2)C(C)(C)C)c1C
InChIInChI=1S/C19H23N3O2/c1-13-7-6-8-16(14(13)2)17(23)21-22(19(3,4)5)18(24)15-9-11-20-12-10-15/h6-12H,1-5H3,(H,21,23)
InChIKeyITXSIQLWZONJSY-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
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'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-tert-butyl-2,3-dimethyl-N'-(2-methylprop-2-enoyl)benzohydrazide
CID 67921998
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N-tert-butyl-2,4,6-trideuterio-N'-(3-methoxy-2-methylbenzoyl)-3,5-bis(trideuteriomethyl)benzohydrazide
CID 131709106
N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
CID 141400773
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide (CID 18961985) is N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide is Cc1cccc(C(=O)NN(C(=O)c2ccncc2)C(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide?
The InChIKey is ITXSIQLWZONJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-7-6-8-16(14(13)2)17(23)21-22(19(3,4)5)18(24)15-9-11-20-12-10-15/h6-12H,1-5H3,(H,21,23).
What are the key properties of N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide?
N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide has a molecular weight of 325.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,3-dimethylbenzoyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 18961985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).