(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide

C16H18N4 — CID 176658973

IUPAC(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide
SMILESC/N=C(/C=C(\N)c1ccc(C)cc1)Nc1ccccn1
InChIInChI=1S/C16H18N4/c1-12-6-8-13(9-7-12)14(17)11-16(18-2)20-15-5-3-4-10-19-15/h3-11H,17H2,1-2H3,(H,18,19,20)/b14-11-
InChIKeyYDHKQSOVOMHETE-KAMYIIQDSA-N
MW266.35 g/mol
LogP2.83
Rot. Bonds3

About (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide

(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide (PubChem CID 176658973) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide
PubChem CID176658973
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide
SMILESC/N=C(/C=C(\N)c1ccc(C)cc1)Nc1ccccn1
InChIInChI=1S/C16H18N4/c1-12-6-8-13(9-7-12)14(17)11-16(18-2)20-15-5-3-4-10-19-15/h3-11H,17H2,1-2H3,(H,18,19,20)/b14-11-
InChIKeyYDHKQSOVOMHETE-KAMYIIQDSA-N
XLogP2.83
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.83
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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Related Compounds

4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
CID 24939669
(Z)-3-(2-chloroanilino)-1-(4-methylphenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 16748293
pyridin-2-ylthiourea
CID 1490491
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
(Z)-4-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-N-pyridin-2-ylbut-3-enamide
CID 5293450
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
N-(2-amino-4-methylphenyl)-N'-pyridin-2-yloxamide
CID 108525984
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide (CID 176658973) is (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide is C/N=C(/C=C(\N)c1ccc(C)cc1)Nc1ccccn1.
What is the InChIKey of (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide?
The InChIKey is YDHKQSOVOMHETE-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-6-8-13(9-7-12)14(17)11-16(18-2)20-15-5-3-4-10-19-15/h3-11H,17H2,1-2H3,(H,18,19,20)/b14-11-.
What are the key properties of (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide?
(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide has a molecular weight of 266.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide is sourced from PubChem (CID 176658973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).