2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide

C12H12FN5O — CID 105387662

IUPAC2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2cccnn2)c1F
InChIInChI=1S/C12H12FN5O/c1-2-14-11-10(13)8(5-7-15-11)12(19)17-9-4-3-6-16-18-9/h3-7H,2H2,1H3,(H,14,15)(H,17,18,19)
InChIKeyZXYIOBMYROKMEC-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.69
Rot. Bonds4

About 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide (PubChem CID 105387662) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
PubChem CID105387662
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2cccnn2)c1F
InChIInChI=1S/C12H12FN5O/c1-2-14-11-10(13)8(5-7-15-11)12(19)17-9-4-3-6-16-18-9/h3-7H,2H2,1H3,(H,14,15)(H,17,18,19)
InChIKeyZXYIOBMYROKMEC-UHFFFAOYSA-N
XLogP1.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-3-fluoro-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 105384074
N-(2-chloro-6-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387655
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[1-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105384882
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 105387592
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide (CID 105387662) is 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2cccnn2)c1F.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide?
The InChIKey is ZXYIOBMYROKMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-2-14-11-10(13)8(5-7-15-11)12(19)17-9-4-3-6-16-18-9/h3-7H,2H2,1H3,(H,14,15)(H,17,18,19).
What are the key properties of 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 105387662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).