4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

C12H14N4OS — CID 81248898

IUPAC4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H14N4OS/c1-8-3-5-18-11(8)7-15-12(17)9-6-14-4-2-10(9)16-13/h2-6H,7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyRLSSERQWGUTVAL-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.67
Rot. Bonds4

About 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81248898) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81248898
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccsc1CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H14N4OS/c1-8-3-5-18-11(8)7-15-12(17)9-6-14-4-2-10(9)16-13/h2-6H,7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyRLSSERQWGUTVAL-UHFFFAOYSA-N
XLogP1.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (CID 81248898) is 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is Cc1ccsc1CNC(=O)c1cnccc1NN.
What is the InChIKey of 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RLSSERQWGUTVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-3-5-18-11(8)7-15-12(17)9-6-14-4-2-10(9)16-13/h2-6H,7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81248898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).