N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide

C9H13N3 — CID 114957609

IUPACN'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cnccc1C
InChIInChI=1S/C9H13N3/c1-7-3-4-11-5-9(7)6-12-8(2)10/h3-5H,6H2,1-2H3,(H2,10,12)
InChIKeyMXXQQUAJZLBGND-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.27
Rot. Bonds2

About N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide

N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide (PubChem CID 114957609) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
PubChem CID114957609
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cnccc1C
InChIInChI=1S/C9H13N3/c1-7-3-4-11-5-9(7)6-12-8(2)10/h3-5H,6H2,1-2H3,(H2,10,12)
InChIKeyMXXQQUAJZLBGND-UHFFFAOYSA-N
XLogP1.27
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294
1-amino-2-[(4-methyl-3-pyridinyl)methyl]-3-propylguanidine
CID 114958064
2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83676274
1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
CID 139016896
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 114700720
3-methyl-3-[(4-methyl-3-pyridinyl)methylamino]butanamide
CID 104580210
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
4-methyl-3-(methylsulfanylmethyl)pyridine
CID 89105159
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
4-methyl-N'-propylpyridine-3-carboximidamide
CID 114878884

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide?
The IUPAC name of N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide (CID 114957609) is N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide is C/C(N)=N\Cc1cnccc1C.
What is the InChIKey of N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide?
The InChIKey is MXXQQUAJZLBGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-3-4-11-5-9(7)6-12-8(2)10/h3-5H,6H2,1-2H3,(H2,10,12).
What are the key properties of N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide?
N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-3-pyridinyl)methyl]ethanimidamide is sourced from PubChem (CID 114957609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).