N'-(pyridin-3-ylmethyl)propanimidamide

C9H13N3 — CID 63178456

IUPACN'-(pyridin-3-ylmethyl)propanimidamide
SMILESCC/C(N)=N\Cc1cccnc1
InChIInChI=1S/C9H13N3/c1-2-9(10)12-7-8-4-3-5-11-6-8/h3-6H,2,7H2,1H3,(H2,10,12)
InChIKeyPOVRZFNLERAVQE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.35
Rot. Bonds3

About N'-(pyridin-3-ylmethyl)propanimidamide

N'-(pyridin-3-ylmethyl)propanimidamide (PubChem CID 63178456) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N'-(pyridin-3-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN'-(pyridin-3-ylmethyl)propanimidamide
PubChem CID63178456
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN'-(pyridin-3-ylmethyl)propanimidamide
SMILESCC/C(N)=N\Cc1cccnc1
InChIInChI=1S/C9H13N3/c1-2-9(10)12-7-8-4-3-5-11-6-8/h3-6H,2,7H2,1H3,(H2,10,12)
InChIKeyPOVRZFNLERAVQE-UHFFFAOYSA-N
XLogP1.35
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.35
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'-benzylpropanimidamide
CID 45122449
1-octyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023328
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
3-ethylpyridine
CID 10823
N'-(1H-pyrazol-4-ylmethyl)propanimidamide
CID 63177896
1-(3,4-dimethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023354

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-3-ylmethyl)propanimidamide?
The IUPAC name of N'-(pyridin-3-ylmethyl)propanimidamide (CID 63178456) is N'-(pyridin-3-ylmethyl)propanimidamide.
What is the SMILES notation for N'-(pyridin-3-ylmethyl)propanimidamide?
The canonical SMILES for N'-(pyridin-3-ylmethyl)propanimidamide is CC/C(N)=N\Cc1cccnc1.
What is the InChIKey of N'-(pyridin-3-ylmethyl)propanimidamide?
The InChIKey is POVRZFNLERAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-9(10)12-7-8-4-3-5-11-6-8/h3-6H,2,7H2,1H3,(H2,10,12).
What are the key properties of N'-(pyridin-3-ylmethyl)propanimidamide?
N'-(pyridin-3-ylmethyl)propanimidamide has a molecular weight of 163.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-3-ylmethyl)propanimidamide is sourced from PubChem (CID 63178456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).