N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide

C13H22N4 — CID 170069099

IUPACN'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide
SMILESCCN1C=CC(/C(NC)=C(C)/N=C/N)=CC1C
InChIInChI=1S/C13H22N4/c1-5-17-7-6-12(8-10(17)2)13(15-4)11(3)16-9-14/h6-10,15H,5H2,1-4H3,(H2,14,16)/b13-11-
InChIKeyAYNRNGQWLKPMAO-QBFSEMIESA-N
MW234.35 g/mol
LogP1.59
Rot. Bonds4

About N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide

N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide (PubChem CID 170069099) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide
PubChem CID170069099
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide
SMILESCCN1C=CC(/C(NC)=C(C)/N=C/N)=CC1C
InChIInChI=1S/C13H22N4/c1-5-17-7-6-12(8-10(17)2)13(15-4)11(3)16-9-14/h6-10,15H,5H2,1-4H3,(H2,14,16)/b13-11-
InChIKeyAYNRNGQWLKPMAO-QBFSEMIESA-N
XLogP1.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.59
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'}

Analyze N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide (CID 170069099) is N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide is CCN1C=CC(/C(NC)=C(C)/N=C/N)=CC1C.
What is the InChIKey of N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The InChIKey is AYNRNGQWLKPMAO-QBFSEMIESA-N. The full InChI is InChI=1S/C13H22N4/c1-5-17-7-6-12(8-10(17)2)13(15-4)11(3)16-9-14/h6-10,15H,5H2,1-4H3,(H2,14,16)/b13-11-.
What are the key properties of N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide has a molecular weight of 234.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(1-ethyl-2-methyl-2H-pyridin-4-yl)-1-(methylamino)prop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 170069099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).