N-(aminomethylidene)-6-methylpyridine-3-carboxamide

C8H9N3O — CID 142112843

IUPACN-(aminomethylidene)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=C/N)cn1
InChIInChI=1S/C8H9N3O/c1-6-2-3-7(4-10-6)8(12)11-5-9/h2-5H,1H3,(H2,9,11,12)
InChIKeyBOKDRIXTKGDALL-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.52
Rot. Bonds1

About N-(aminomethylidene)-6-methylpyridine-3-carboxamide

N-(aminomethylidene)-6-methylpyridine-3-carboxamide (PubChem CID 142112843) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(aminomethylidene)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(aminomethylidene)-6-methylpyridine-3-carboxamide
PubChem CID142112843
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC NameN-(aminomethylidene)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=C/N)cn1
InChIInChI=1S/C8H9N3O/c1-6-2-3-7(4-10-6)8(12)11-5-9/h2-5H,1H3,(H2,9,11,12)
InChIKeyBOKDRIXTKGDALL-UHFFFAOYSA-N
XLogP0.52
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(aminomethylidene)-6-methylpyridine-3-carboxamide (CID 142112843) is N-(aminomethylidene)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(aminomethylidene)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(aminomethylidene)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)/N=C/N)cn1.
What is the InChIKey of N-(aminomethylidene)-6-methylpyridine-3-carboxamide?
The InChIKey is BOKDRIXTKGDALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-2-3-7(4-10-6)8(12)11-5-9/h2-5H,1H3,(H2,9,11,12).
What are the key properties of N-(aminomethylidene)-6-methylpyridine-3-carboxamide?
N-(aminomethylidene)-6-methylpyridine-3-carboxamide has a molecular weight of 163.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 142112843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).