N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide

C14H12FN5O — CID 62169600

IUPACN-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cccc(F)c2C#N)nn1
InChIInChI=1S/C14H12FN5O/c1-2-17-13-7-6-12(19-20-13)14(21)18-11-5-3-4-10(15)9(11)8-16/h3-7H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyLVCHYPRLGIMXGS-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.17
Rot. Bonds4

About N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide

N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide (PubChem CID 62169600) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
PubChem CID62169600
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC NameN-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cccc(F)c2C#N)nn1
InChIInChI=1S/C14H12FN5O/c1-2-17-13-7-6-12(19-20-13)14(21)18-11-5-3-4-10(15)9(11)8-16/h3-7H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeyLVCHYPRLGIMXGS-UHFFFAOYSA-N
XLogP2.17
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235962
6-amino-N-(2-cyano-3-fluorophenyl)pyridazine-3-carboxamide
CID 62155166
N-(2,3-dimethylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62166086
N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 79044361
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide (CID 62169600) is N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide is CCNc1ccc(C(=O)Nc2cccc(F)c2C#N)nn1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The InChIKey is LVCHYPRLGIMXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-2-17-13-7-6-12(19-20-13)14(21)18-11-5-3-4-10(15)9(11)8-16/h3-7H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-6-(ethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62169600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).