N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide

C13H19F3N4 — CID 146489762

IUPACN-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide
SMILESC/N=C(\C)N/C(=C\N)C1=CN(C)C(C(F)(F)F)C(C)=C1
InChIInChI=1S/C13H19F3N4/c1-8-5-10(11(6-17)19-9(2)18-3)7-20(4)12(8)13(14,15)16/h5-7,12H,17H2,1-4H3,(H,18,19)/b11-6-
InChIKeyQVHYWKAXAMLEMQ-WDZFZDKYSA-N
MW288.32 g/mol
LogP2.13
Rot. Bonds2

About N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide

N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide (PubChem CID 146489762) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide
PubChem CID146489762
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide
SMILESC/N=C(\C)N/C(=C\N)C1=CN(C)C(C(F)(F)F)C(C)=C1
InChIInChI=1S/C13H19F3N4/c1-8-5-10(11(6-17)19-9(2)18-3)7-20(4)12(8)13(14,15)16/h5-7,12H,17H2,1-4H3,(H,18,19)/b11-6-
InChIKeyQVHYWKAXAMLEMQ-WDZFZDKYSA-N
XLogP2.13
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide (CID 146489762) is N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide is C/N=C(\C)N/C(=C\N)C1=CN(C)C(C(F)(F)F)C(C)=C1.
What is the InChIKey of N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide?
The InChIKey is QVHYWKAXAMLEMQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-8-5-10(11(6-17)19-9(2)18-3)7-20(4)12(8)13(14,15)16/h5-7,12H,17H2,1-4H3,(H,18,19)/b11-6-.
What are the key properties of N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide?
N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide has a molecular weight of 288.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]ethenyl]-N'-methylethanimidamide is sourced from PubChem (CID 146489762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).