3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

C13H19FN4O2 — CID 105387899

IUPAC3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C13H19FN4O2/c1-18(8-9-4-2-3-7-20-9)13(19)10-5-6-16-12(17-15)11(10)14/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyNTTPQSRXAULVGP-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.15
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 105387899) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID105387899
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C13H19FN4O2/c1-18(8-9-4-2-3-7-20-9)13(19)10-5-6-16-12(17-15)11(10)14/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17)
InChIKeyNTTPQSRXAULVGP-UHFFFAOYSA-N
XLogP1.15
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
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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Related Compounds

2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 105388683
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
N-ethyl-2,3-difluoro-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114985398
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
3-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105068980
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
CID 107024526
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436120

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 105387899) is 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCCO1)C(=O)c1ccnc(NN)c1F.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is NTTPQSRXAULVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-18(8-9-4-2-3-7-20-9)13(19)10-5-6-16-12(17-15)11(10)14/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105387899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).