N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C13H20FN5O2 — CID 105388576

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NN)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20FN5O2/c1-7(11(20)18-13(2,3)4)17-12(21)8-5-6-16-10(19-15)9(8)14/h5-7H,15H2,1-4H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyLRNCDWXRFXEWCH-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.54
Rot. Bonds4

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105388576) has the molecular formula C13H20FN5O2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105388576
Molecular FormulaC13H20FN5O2
Molecular Weight297.33 g/mol
Exact Mass297.16
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NN)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20FN5O2/c1-7(11(20)18-13(2,3)4)17-12(21)8-5-6-16-10(19-15)9(8)14/h5-7H,15H2,1-4H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyLRNCDWXRFXEWCH-UHFFFAOYSA-N
XLogP0.54
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.54
H-Bond Donors ≤ 54
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

N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105388578
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 105388398
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide
CID 105071098
tert-butyl (2S)-2-[(2,3-difluoropyridine-4-carbonyl)amino]propanoate
CID 107470506
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387914

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105388576) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CC(NC(=O)c1ccnc(NN)c1F)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is LRNCDWXRFXEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O2/c1-7(11(20)18-13(2,3)4)17-12(21)8-5-6-16-10(19-15)9(8)14/h5-7H,15H2,1-4H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105388576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).