N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide

C8H9N5 — CID 14221892

IUPACN-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide
SMILESCN(N)/C=N/c1ncccc1C#N
InChIInChI=1S/C8H9N5/c1-13(10)6-12-8-7(5-9)3-2-4-11-8/h2-4,6H,10H2,1H3/b12-6+
InChIKeyBWZMQMWFLMRANP-WUXMJOGZSA-N
MW175.19 g/mol
LogP0.42
Rot. Bonds2

About N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide

N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide (PubChem CID 14221892) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide
PubChem CID14221892
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide
SMILESCN(N)/C=N/c1ncccc1C#N
InChIInChI=1S/C8H9N5/c1-13(10)6-12-8-7(5-9)3-2-4-11-8/h2-4,6H,10H2,1H3/b12-6+
InChIKeyBWZMQMWFLMRANP-WUXMJOGZSA-N
XLogP0.42
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide?
The IUPAC name of N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide (CID 14221892) is N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide.
What is the SMILES notation for N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide?
The canonical SMILES for N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide is CN(N)/C=N/c1ncccc1C#N.
What is the InChIKey of N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide?
The InChIKey is BWZMQMWFLMRANP-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H9N5/c1-13(10)6-12-8-7(5-9)3-2-4-11-8/h2-4,6H,10H2,1H3/b12-6+.
What are the key properties of N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide?
N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide has a molecular weight of 175.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-cyano-2-pyridinyl)-N-methylmethanimidamide is sourced from PubChem (CID 14221892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).