6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide

C11H12N6O — CID 106909021

IUPAC6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESN#CCN(CC#N)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C11H12N6O/c12-4-6-17(7-5-13)8-9-2-1-3-10(15-9)11(18)16-14/h1-3H,6-8,14H2,(H,16,18)
InChIKeyZYELDYGUDFBHKH-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.47
Rot. Bonds5

About 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide

6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909021) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
PubChem CID106909021
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESN#CCN(CC#N)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C11H12N6O/c12-4-6-17(7-5-13)8-9-2-1-3-10(15-9)11(18)16-14/h1-3H,6-8,14H2,(H,16,18)
InChIKeyZYELDYGUDFBHKH-UHFFFAOYSA-N
XLogP-0.47
TPSA118.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[[bis(cyclopropylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909293
6-[[butyl(methyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909022
3-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-methylamino]-N-methylpropanamide
CID 106918242
2-[[bis(cyanomethyl)amino]methyl]benzohydrazide
CID 55214787
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909075
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909404
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
trisodium;6-[[bis[(6-carboxylato-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
CID 102087870
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145

Frequently Asked Questions

What is the IUPAC name of 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide (CID 106909021) is 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide is N#CCN(CC#N)Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide?
The InChIKey is ZYELDYGUDFBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-4-6-17(7-5-13)8-9-2-1-3-10(15-9)11(18)16-14/h1-3H,6-8,14H2,(H,16,18).
What are the key properties of 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide?
6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide has a molecular weight of 244.26 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(cyanomethyl)amino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).