6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide

C14H17N5O — CID 106909075

IUPAC6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCN(Cc1ccncc1)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C14H17N5O/c1-19(9-11-5-7-16-8-6-11)10-12-3-2-4-13(17-12)14(20)18-15/h2-8H,9-10,15H2,1H3,(H,18,20)
InChIKeySHTGSTRRPWFWFB-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.71
Rot. Bonds5

About 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide

6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide (PubChem CID 106909075) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
PubChem CID106909075
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide
SMILESCN(Cc1ccncc1)Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C14H17N5O/c1-19(9-11-5-7-16-8-6-11)10-12-3-2-4-13(17-12)14(20)18-15/h2-8H,9-10,15H2,1H3,(H,18,20)
InChIKeySHTGSTRRPWFWFB-UHFFFAOYSA-N
XLogP0.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide (CID 106909075) is 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide is CN(Cc1ccncc1)Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide?
The InChIKey is SHTGSTRRPWFWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(9-11-5-7-16-8-6-11)10-12-3-2-4-13(17-12)14(20)18-15/h2-8H,9-10,15H2,1H3,(H,18,20).
What are the key properties of 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide?
6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide has a molecular weight of 271.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).