6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide

C15H14ClFN4O — CID 133446450

IUPAC6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NC1CCCc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN4O/c16-13-7-11(14(18)22)15(21-20-13)19-12-3-1-2-8-4-5-9(17)6-10(8)12/h4-7,12H,1-3H2,(H2,18,22)(H,19,21)
InChIKeyVIAPSTQYXJXKNR-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.86
Rot. Bonds3

About 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide

6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide (PubChem CID 133446450) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
PubChem CID133446450
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC Name6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NC1CCCc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN4O/c16-13-7-11(14(18)22)15(21-20-13)19-12-3-1-2-8-4-5-9(17)6-10(8)12/h4-7,12H,1-3H2,(H2,18,22)(H,19,21)
InChIKeyVIAPSTQYXJXKNR-UHFFFAOYSA-N
XLogP2.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133446267
N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
5-bromo-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 133446372
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133446329
4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133446354
3-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 133446398
2-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133446426
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide (CID 133446450) is 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1NC1CCCc2ccc(F)cc21.
What is the InChIKey of 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide?
The InChIKey is VIAPSTQYXJXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-13-7-11(14(18)22)15(21-20-13)19-12-3-1-2-8-4-5-9(17)6-10(8)12/h4-7,12H,1-3H2,(H2,18,22)(H,19,21).
What are the key properties of 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide?
6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133446450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).