N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide

C18H20FN3O2 — CID 141400773

IUPACN-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccccc2F)C(C)(C)C)cn1
InChIInChI=1S/C18H20FN3O2/c1-12-9-10-13(11-20-12)17(24)22(18(2,3)4)21-16(23)14-7-5-6-8-15(14)19/h5-11H,1-4H3,(H,21,23)
InChIKeyOEMHKXLBPIWQJI-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.11
Rot. Bonds2

About N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide

N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide (PubChem CID 141400773) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
PubChem CID141400773
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccccc2F)C(C)(C)C)cn1
InChIInChI=1S/C18H20FN3O2/c1-12-9-10-13(11-20-12)17(24)22(18(2,3)4)21-16(23)14-7-5-6-8-15(14)19/h5-11H,1-4H3,(H,21,23)
InChIKeyOEMHKXLBPIWQJI-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.11
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-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 141400759
N-tert-butyl-N'-(2-fluorobenzoyl)-2-nitrobenzohydrazide;trihydrochloride
CID 70295139
N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400826
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990901
6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400792
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide (CID 141400773) is N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide is Cc1ccc(C(=O)N(NC(=O)c2ccccc2F)C(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide?
The InChIKey is OEMHKXLBPIWQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-10-13(11-20-12)17(24)22(18(2,3)4)21-16(23)14-7-5-6-8-15(14)19/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide?
N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide has a molecular weight of 329.38 g/mol, XLogP of 3.11, 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-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide is sourced from PubChem (CID 141400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).