N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide

C18H14F3N5O2 — CID 78813930

IUPACN'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-4-1-5-12(10-11)24-15-13(6-2-9-23-15)16(27)25-26-17(28)14-7-3-8-22-14/h1-10,22H,(H,23,24)(H,25,27)(H,26,28)
InChIKeyQZPUZOHDCLCGOZ-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.25
Rot. Bonds4

About N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide

N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide (PubChem CID 78813930) has the molecular formula C18H14F3N5O2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
PubChem CID78813930
Molecular FormulaC18H14F3N5O2
Molecular Weight389.34 g/mol
Exact Mass389.11
IUPAC NameN'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc[nH]1
InChIInChI=1S/C18H14F3N5O2/c19-18(20,21)11-4-1-5-12(10-11)24-15-13(6-2-9-23-15)16(27)25-26-17(28)14-7-3-8-22-14/h1-10,22H,(H,23,24)(H,25,27)(H,26,28)
InChIKeyQZPUZOHDCLCGOZ-UHFFFAOYSA-N
XLogP3.25
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 86985917
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 55416374
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
3-dimethylphosphorylpropyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12669147
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 71722152
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
[2-(tert-butylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2363934
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493

Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The IUPAC name of N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide (CID 78813930) is N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc[nH]1.
What is the InChIKey of N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
The InChIKey is QZPUZOHDCLCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2/c19-18(20,21)11-4-1-5-12(10-11)24-15-13(6-2-9-23-15)16(27)25-26-17(28)14-7-3-8-22-14/h1-10,22H,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide?
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide has a molecular weight of 389.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide is sourced from PubChem (CID 78813930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).