N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C14H16F3N5 — CID 142722481

IUPACN'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1ccc(C(F)(F)F)cc1)N1CC=CCC1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)10-4-6-11(7-5-10)20-12(18)21-13(19)22-8-2-1-3-9-22/h1-2,4-7H,3,8-9H2,(H4,18,19,20,21)
InChIKeyVGAZRULXBIDNLH-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.23
Rot. Bonds1

About N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 142722481) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID142722481
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC NameN'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESN/C(=N/C(N)=N/c1ccc(C(F)(F)F)cc1)N1CC=CCC1
InChIInChI=1S/C14H16F3N5/c15-14(16,17)10-4-6-11(7-5-10)20-12(18)21-13(19)22-8-2-1-3-9-22/h1-2,4-7H,3,8-9H2,(H4,18,19,20,21)
InChIKeyVGAZRULXBIDNLH-UHFFFAOYSA-N
XLogP2.23
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 142722481) is N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is N/C(=N/C(N)=N/c1ccc(C(F)(F)F)cc1)N1CC=CCC1.
What is the InChIKey of N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is VGAZRULXBIDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c15-14(16,17)10-4-6-11(7-5-10)20-12(18)21-13(19)22-8-2-1-3-9-22/h1-2,4-7H,3,8-9H2,(H4,18,19,20,21).
What are the key properties of N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 311.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 142722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).