N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide

C17H14ClF4N3O2 — CID 141400826

IUPACN-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1c(F)c(F)cc(F)c1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-4-5-11(18)23-7-8)24-15(26)12-13(21)9(19)6-10(20)14(12)22/h4-7H,1-3H3,(H,24,26)
InChIKeyKDGBMYSOBNESPR-UHFFFAOYSA-N
MW403.76 g/mol
LogP3.88
Rot. Bonds2

About N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide

N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide (PubChem CID 141400826) has the molecular formula C17H14ClF4N3O2 and a molecular weight of 403.76 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
PubChem CID141400826
Molecular FormulaC17H14ClF4N3O2
Molecular Weight403.76 g/mol
Exact Mass403.07
IUPAC NameN-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1c(F)c(F)cc(F)c1F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-4-5-11(18)23-7-8)24-15(26)12-13(21)9(19)6-10(20)14(12)22/h4-7H,1-3H3,(H,24,26)
InChIKeyKDGBMYSOBNESPR-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-6-chloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 141400759
6-chloro-N'-(2,3,5,6-tetrafluorophenyl)pyridine-3-carbohydrazide
CID 2604242
N-tert-butyl-N'-(2-fluorobenzoyl)-6-methylpyridine-3-carbohydrazide
CID 141400773
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
6-chloro-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 43384926
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
2-[(6-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818473
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 22336258
N-tert-butyl-2-chloro-N'-(2,3,4,5-tetrafluorobenzoyl)pyridine-3-carbohydrazide
CID 141400792
6-chloro-N-(2,3-dihydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 66169235
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide (CID 141400826) is N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide is CC(C)(C)N(NC(=O)c1c(F)c(F)cc(F)c1F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
The InChIKey is KDGBMYSOBNESPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O2/c1-17(2,3)25(16(27)8-4-5-11(18)23-7-8)24-15(26)12-13(21)9(19)6-10(20)14(12)22/h4-7H,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide?
N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide has a molecular weight of 403.76 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-N'-(2,3,5,6-tetrafluorobenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 141400826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).