3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

C12H18FN5O3 — CID 105388578

IUPAC3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H18FN5O3/c1-7(11(19)16-5-6-21-2)17-12(20)8-3-4-15-10(18-14)9(8)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyJJJSKEKAMIQNCI-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.61
Rot. Bonds7

About 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 105388578) has the molecular formula C12H18FN5O3 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID105388578
Molecular FormulaC12H18FN5O3
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Name3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCOCCNC(=O)C(C)NC(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H18FN5O3/c1-7(11(19)16-5-6-21-2)17-12(20)8-3-4-15-10(18-14)9(8)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyJJJSKEKAMIQNCI-UHFFFAOYSA-N
XLogP-0.61
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 105388411
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
N-(3,3-dimethylbutan-2-yl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388598
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385912
3-fluoro-2-hydrazinyl-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 105388315
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-(2-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388610
3-fluoro-2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 105388398
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 105388578) is 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is COCCNC(=O)C(C)NC(=O)c1ccnc(NN)c1F.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is JJJSKEKAMIQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O3/c1-7(11(19)16-5-6-21-2)17-12(20)8-3-4-15-10(18-14)9(8)13/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of -0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 105388578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).