3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide

C13H19FN4O3 — CID 105388683

IUPAC3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C13H19FN4O3/c1-18(8-13(20)3-6-21-7-4-13)12(19)9-2-5-16-11(17-15)10(9)14/h2,5,20H,3-4,6-8,15H2,1H3,(H,16,17)
InChIKeyPSBVJZLAOMHKMR-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.12
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 105388683) has the molecular formula C13H19FN4O3 and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID105388683
Molecular FormulaC13H19FN4O3
Molecular Weight298.32 g/mol
Exact Mass298.14
IUPAC Name3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1ccnc(NN)c1F
InChIInChI=1S/C13H19FN4O3/c1-18(8-13(20)3-6-21-7-4-13)12(19)9-2-5-16-11(17-15)10(9)14/h2,5,20H,3-4,6-8,15H2,1H3,(H,16,17)
InChIKeyPSBVJZLAOMHKMR-UHFFFAOYSA-N
XLogP0.12
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.12
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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Related Compounds

5-bromo-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114953304
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105388166
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105420387
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
N-cyclopentyl-3-fluoro-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105388215
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377151
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide (CID 105388683) is 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide is CN(CC1(O)CCOCC1)C(=O)c1ccnc(NN)c1F.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is PSBVJZLAOMHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O3/c1-18(8-13(20)3-6-21-7-4-13)12(19)9-2-5-16-11(17-15)10(9)14/h2,5,20H,3-4,6-8,15H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105388683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).