N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide

C20H15F3N4O2 — CID 141343912

IUPACN-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide
SMILESO=C(N/C(=N\c1cccc(C(F)(F)F)c1)Nc1cncc(O)c1)c1ccccc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-7-4-8-15(9-14)25-19(26-16-10-17(28)12-24-11-16)27-18(29)13-5-2-1-3-6-13/h1-12,28H,(H2,25,26,27,29)
InChIKeySEGQFEOYBYDCOA-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.34
Rot. Bonds3

About N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide

N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide (PubChem CID 141343912) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide
PubChem CID141343912
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide
SMILESO=C(N/C(=N\c1cccc(C(F)(F)F)c1)Nc1cncc(O)c1)c1ccccc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)14-7-4-8-15(9-14)25-19(26-16-10-17(28)12-24-11-16)27-18(29)13-5-2-1-3-6-13/h1-12,28H,(H2,25,26,27,29)
InChIKeySEGQFEOYBYDCOA-UHFFFAOYSA-N
XLogP4.34
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135500733
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-[5-(2-phenylethynyl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2822471
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
CID 11501101
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
N-[N-(3-chloro-5-fluorophenyl)-N'-(6-oxo-1H-pyridin-2-yl)carbamimidoyl]-3-(trifluoromethyl)benzamide
CID 137141235
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895

Frequently Asked Questions

What is the IUPAC name of N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide?
The IUPAC name of N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide (CID 141343912) is N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide.
What is the SMILES notation for N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide?
The canonical SMILES for N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide is O=C(N/C(=N\c1cccc(C(F)(F)F)c1)Nc1cncc(O)c1)c1ccccc1.
What is the InChIKey of N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide?
The InChIKey is SEGQFEOYBYDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)14-7-4-8-15(9-14)25-19(26-16-10-17(28)12-24-11-16)27-18(29)13-5-2-1-3-6-13/h1-12,28H,(H2,25,26,27,29).
What are the key properties of N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide?
N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(5-hydroxy-3-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]benzamide is sourced from PubChem (CID 141343912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).