N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide

C19H17F3N6 — CID 142467978

IUPACN'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESN/C(=N\N(N)c1ccccn1)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N6/c20-19(21,22)13-8-10-14(11-9-13)26-16-6-2-1-5-15(16)18(23)27-28(24)17-7-3-4-12-25-17/h1-12,26H,24H2,(H2,23,27)
InChIKeyBMNUMZJHUICNDR-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.84
Rot. Bonds5

About N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide

N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide (PubChem CID 142467978) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
PubChem CID142467978
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC NameN'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
SMILESN/C(=N\N(N)c1ccccn1)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N6/c20-19(21,22)13-8-10-14(11-9-13)26-16-6-2-1-5-15(16)18(23)27-28(24)17-7-3-4-12-25-17/h1-12,26H,24H2,(H2,23,27)
InChIKeyBMNUMZJHUICNDR-UHFFFAOYSA-N
XLogP3.84
TPSA92.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[amino-[2-(trifluoromethoxy)ethyl]amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468180
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide
CID 142468084
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-methylacetamide
CID 142468369
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
CID 175873735
N'-[amino(2-hydroxyethyl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide;thietane
CID 142468067
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-hydroxyacetamide;ethane;propane
CID 142468083
N'-[amino(pyridin-2-ylmethyl)amino]-2-[4-(trifluoromethoxy)anilino]benzenecarboximidamide
CID 142468367
tert-butyl 3-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]pyrrolidine-1-carboxylate
CID 142468292
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
N'-[(1-acetyl-3-hydroxypiperidin-3-yl)methyl-aminoamino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide
CID 142468277
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162

Frequently Asked Questions

What is the IUPAC name of N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The IUPAC name of N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide (CID 142467978) is N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide.
What is the SMILES notation for N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The canonical SMILES for N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide is N/C(=N\N(N)c1ccccn1)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
The InChIKey is BMNUMZJHUICNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6/c20-19(21,22)13-8-10-14(11-9-13)26-16-6-2-1-5-15(16)18(23)27-28(24)17-7-3-4-12-25-17/h1-12,26H,24H2,(H2,23,27).
What are the key properties of N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide?
N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide has a molecular weight of 386.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(pyridin-2-yl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide is sourced from PubChem (CID 142467978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).