N'-cyano-2-methylpyridine-3-carboximidamide

C8H8N4 — CID 142179996

IUPACN'-cyano-2-methylpyridine-3-carboximidamide
SMILESCc1ncccc1/C(N)=N/C#N
InChIInChI=1S/C8H8N4/c1-6-7(3-2-4-11-6)8(10)12-5-9/h2-4H,1H3,(H2,10,12)
InChIKeyOTKZZDQEZDPGDS-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.58
Rot. Bonds1

About N'-cyano-2-methylpyridine-3-carboximidamide

N'-cyano-2-methylpyridine-3-carboximidamide (PubChem CID 142179996) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N'-cyano-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyano-2-methylpyridine-3-carboximidamide
PubChem CID142179996
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN'-cyano-2-methylpyridine-3-carboximidamide
SMILESCc1ncccc1/C(N)=N/C#N
InChIInChI=1S/C8H8N4/c1-6-7(3-2-4-11-6)8(10)12-5-9/h2-4H,1H3,(H2,10,12)
InChIKeyOTKZZDQEZDPGDS-UHFFFAOYSA-N
XLogP0.58
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-cyanopyridine-3-carboximidamide
CID 138107943
N-(2-amino-2-oxoethyl)-2-methylpyridine-3-carboxamide
CID 78953566
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine
CID 167055590
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[(3-cyanophenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 78950805
N'-amino-2-ethylpyridine-3-carboximidamide
CID 141290958
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
N'-amino-2-methoxypyridine-3-carboximidamide
CID 76975295

Frequently Asked Questions

What is the IUPAC name of N'-cyano-2-methylpyridine-3-carboximidamide?
The IUPAC name of N'-cyano-2-methylpyridine-3-carboximidamide (CID 142179996) is N'-cyano-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-cyano-2-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-cyano-2-methylpyridine-3-carboximidamide is Cc1ncccc1/C(N)=N/C#N.
What is the InChIKey of N'-cyano-2-methylpyridine-3-carboximidamide?
The InChIKey is OTKZZDQEZDPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-6-7(3-2-4-11-6)8(10)12-5-9/h2-4H,1H3,(H2,10,12).
What are the key properties of N'-cyano-2-methylpyridine-3-carboximidamide?
N'-cyano-2-methylpyridine-3-carboximidamide has a molecular weight of 160.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 142179996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).