3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

C13H16N4OS — CID 63640901

IUPAC3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccccn1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C13H16N4OS/c1-17(9-11-4-2-3-6-15-11)8-10-5-7-19-12(10)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18)
InChIKeyPZOQOKRSLVMWHC-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.38
Rot. Bonds5

About 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide

3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63640901) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63640901
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCN(Cc1ccccn1)Cc1ccsc1C(=O)NN
InChIInChI=1S/C13H16N4OS/c1-17(9-11-4-2-3-6-15-11)8-10-5-7-19-12(10)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18)
InChIKeyPZOQOKRSLVMWHC-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.38
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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Related Compounds

3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640379
5-methyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 80733871
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63571803
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid
CID 76917933
6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909041
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide (CID 63640901) is 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is CN(Cc1ccccn1)Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is PZOQOKRSLVMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(9-11-4-2-3-6-15-11)8-10-5-7-19-12(10)13(18)16-14/h2-7H,8-9,14H2,1H3,(H,16,18).
What are the key properties of 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide?
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 276.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).