6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

C14H15FN4O — CID 109109755

IUPAC6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H15FN4O/c1-9(2)16-14(20)12-6-7-13(19-18-12)17-11-5-3-4-10(15)8-11/h3-9H,1-2H3,(H,16,20)(H,17,19)
InChIKeyPZJLFWYEGZVCIY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.50
Rot. Bonds4

About 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109755) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109755
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C14H15FN4O/c1-9(2)16-14(20)12-6-7-13(19-18-12)17-11-5-3-4-10(15)8-11/h3-9H,1-2H3,(H,16,20)(H,17,19)
InChIKeyPZJLFWYEGZVCIY-UHFFFAOYSA-N
XLogP2.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
6-(3-fluoroanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127276
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109109755) is 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(Nc2cccc(F)c2)nn1.
What is the InChIKey of 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is PZJLFWYEGZVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-9(2)16-14(20)12-6-7-13(19-18-12)17-11-5-3-4-10(15)8-11/h3-9H,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).