N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

C12H20FN5O — CID 105387949

IUPACN-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H20FN5O/c1-3-18(4-2)8-7-16-12(19)9-5-6-15-11(17-14)10(9)13/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyHOOSODFYMTUPFI-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.58
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide

N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (PubChem CID 105387949) has the molecular formula C12H20FN5O and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
PubChem CID105387949
Molecular FormulaC12H20FN5O
Molecular Weight269.32 g/mol
Exact Mass269.17
IUPAC NameN-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(NN)c1F
InChIInChI=1S/C12H20FN5O/c1-3-18(4-2)8-7-16-12(19)9-5-6-15-11(17-14)10(9)13/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyHOOSODFYMTUPFI-UHFFFAOYSA-N
XLogP0.58
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
N-butyl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387835
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
N-[2-(ethylsulfamoyl)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106340899
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316
3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105388504
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
N-(2-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388610
N-(3-cyclopentylpropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106012747
3-fluoro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106423139
3-fluoro-2-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 105387848

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide (CID 105387949) is N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is CCN(CC)CCNC(=O)c1ccnc(NN)c1F.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is HOOSODFYMTUPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5O/c1-3-18(4-2)8-7-16-12(19)9-5-6-15-11(17-14)10(9)13/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide?
N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 269.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105387949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).