2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide

C12H19F2N5O — CID 114073557

IUPAC2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(NN)c(F)cc1F
InChIInChI=1S/C12H19F2N5O/c1-4-19(5-2)12(20)7(3)16-10-8(13)6-9(14)11(17-10)18-15/h6-7H,4-5,15H2,1-3H3,(H2,16,17,18)
InChIKeyKAMXNXPJILBPAX-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.31
Rot. Bonds6

About 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide

2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide (PubChem CID 114073557) has the molecular formula C12H19F2N5O and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
PubChem CID114073557
Molecular FormulaC12H19F2N5O
Molecular Weight287.31 g/mol
Exact Mass287.16
IUPAC Name2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc(NN)c(F)cc1F
InChIInChI=1S/C12H19F2N5O/c1-4-19(5-2)12(20)7(3)16-10-8(13)6-9(14)11(17-10)18-15/h6-7H,4-5,15H2,1-3H3,(H2,16,17,18)
InChIKeyKAMXNXPJILBPAX-UHFFFAOYSA-N
XLogP1.31
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.31
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

2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103114114
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 114407679
5-amino-6-[[1-(diethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 114407683
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113408737
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 114073067
2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylpropanamide
CID 103365099
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408299
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957101
2-[(4-amino-5-methyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408305

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide (CID 114073557) is 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1nc(NN)c(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide?
The InChIKey is KAMXNXPJILBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5O/c1-4-19(5-2)12(20)7(3)16-10-8(13)6-9(14)11(17-10)18-15/h6-7H,4-5,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide?
2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide has a molecular weight of 287.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 114073557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).