3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide

C16H19N5 — CID 153210222

IUPAC3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide
SMILESCNN/C(C=C(N)c1ccccc1)=N\Cc1cccnc1
InChIInChI=1S/C16H19N5/c1-18-21-16(20-12-13-6-5-9-19-11-13)10-15(17)14-7-3-2-4-8-14/h2-11,18H,12,17H2,1H3,(H,20,21)
InChIKeyYQRQIAXJAMOLBB-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide

3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide (PubChem CID 153210222) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide.

Molecular Properties

Compound Name3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide
PubChem CID153210222
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide
SMILESCNN/C(C=C(N)c1ccccc1)=N\Cc1cccnc1
InChIInChI=1S/C16H19N5/c1-18-21-16(20-12-13-6-5-9-19-11-13)10-15(17)14-7-3-2-4-8-14/h2-11,18H,12,17H2,1H3,(H,20,21)
InChIKeyYQRQIAXJAMOLBB-UHFFFAOYSA-N
XLogP1.70
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-octyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023328
3-benzyl-1,1-dimethyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023402
N'-benzyl-N-cyanopyridine-3-carboximidamide
CID 10105525
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
3-phenyl-N'-(pyridin-3-ylmethyldiazenyl)benzenecarboximidamide
CID 174087200
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
CID 54404676

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide?
The IUPAC name of 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide (CID 153210222) is 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide.
What is the SMILES notation for 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide?
The canonical SMILES for 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide is CNN/C(C=C(N)c1ccccc1)=N\Cc1cccnc1.
What is the InChIKey of 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide?
The InChIKey is YQRQIAXJAMOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-18-21-16(20-12-13-6-5-9-19-11-13)10-15(17)14-7-3-2-4-8-14/h2-11,18H,12,17H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide?
3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide has a molecular weight of 281.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(methylamino)-3-phenyl-N'-(pyridin-3-ylmethyl)prop-2-enimidamide is sourced from PubChem (CID 153210222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).