N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide

C16H12FN5O — CID 113047284

IUPACN-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccnc1
InChIInChI=1S/C16H12FN5O/c17-12-3-5-13(6-4-12)19-14-7-8-15(22-21-14)20-16(23)11-2-1-9-18-10-11/h1-10H,(H,19,21)(H,20,22,23)
InChIKeyONJHBMWLBCUASN-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.01
Rot. Bonds4

About N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113047284) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113047284
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC NameN-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccnc1
InChIInChI=1S/C16H12FN5O/c17-12-3-5-13(6-4-12)19-14-7-8-15(22-21-14)20-16(23)11-2-1-9-18-10-11/h1-10H,(H,19,21)(H,20,22,23)
InChIKeyONJHBMWLBCUASN-UHFFFAOYSA-N
XLogP3.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113047284) is N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2ccc(F)cc2)nn1)c1cccnc1.
What is the InChIKey of N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is ONJHBMWLBCUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-12-3-5-13(6-4-12)19-14-7-8-15(22-21-14)20-16(23)11-2-1-9-18-10-11/h1-10H,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113047284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).