3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C18H16F3N5 — CID 170081928

IUPAC3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNNc1ccc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C18H16F3N5/c19-18(20,21)12-4-6-13(7-5-12)25-17-14(2-1-9-24-17)11-3-8-16(26-23)15(22)10-11/h1-10,26H,22-23H2,(H,24,25)
InChIKeyRLXRWXOXHPEVOH-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.38
Rot. Bonds4

About 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 170081928) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID170081928
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNNc1ccc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C18H16F3N5/c19-18(20,21)12-4-6-13(7-5-12)25-17-14(2-1-9-24-17)11-3-8-16(26-23)15(22)10-11/h1-10,26H,22-23H2,(H,24,25)
InChIKeyRLXRWXOXHPEVOH-UHFFFAOYSA-N
XLogP4.38
TPSA88.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 170081928) is 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is NNc1ccc(-c2cccnc2Nc2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is RLXRWXOXHPEVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c19-18(20,21)12-4-6-13(7-5-12)25-17-14(2-1-9-24-17)11-3-8-16(26-23)15(22)10-11/h1-10,26H,22-23H2,(H,24,25).
What are the key properties of 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 359.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-hydrazinylphenyl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 170081928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).