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

C12H14N6O — CID 81255907

IUPAC4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nccc(CNC(=O)c2cnccc2NN)n1
InChIInChI=1S/C12H14N6O/c1-8-15-5-2-9(17-8)6-16-12(19)10-7-14-4-3-11(10)18-13/h2-5,7H,6,13H2,1H3,(H,14,18)(H,16,19)
InChIKeyGBLPSKFPUIJRLO-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.40
Rot. Bonds4

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

4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 81255907) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID81255907
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nccc(CNC(=O)c2cnccc2NN)n1
InChIInChI=1S/C12H14N6O/c1-8-15-5-2-9(17-8)6-16-12(19)10-7-14-4-3-11(10)18-13/h2-5,7H,6,13H2,1H3,(H,14,18)(H,16,19)
InChIKeyGBLPSKFPUIJRLO-UHFFFAOYSA-N
XLogP0.40
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 81255907) is 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is Cc1nccc(CNC(=O)c2cnccc2NN)n1.
What is the InChIKey of 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GBLPSKFPUIJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-8-15-5-2-9(17-8)6-16-12(19)10-7-14-4-3-11(10)18-13/h2-5,7H,6,13H2,1H3,(H,14,18)(H,16,19).
What are the key properties of 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81255907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).