6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C17H14FN5O — CID 109121435

IUPAC6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C17H14FN5O/c18-13-3-1-2-4-14(13)21-16-6-5-15(22-23-16)17(24)20-11-12-7-9-19-10-8-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyQYCBIAQVQZIHSN-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.68
Rot. Bonds5

About 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121435) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121435
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C17H14FN5O/c18-13-3-1-2-4-14(13)21-16-6-5-15(22-23-16)17(24)20-11-12-7-9-19-10-8-12/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyQYCBIAQVQZIHSN-UHFFFAOYSA-N
XLogP2.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109120467
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-[2-(dimethylamino)ethyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109115424
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
N,N-diethyl-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109124434

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109121435) is 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is QYCBIAQVQZIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-13-3-1-2-4-14(13)21-16-6-5-15(22-23-16)17(24)20-11-12-7-9-19-10-8-12/h1-10H,11H2,(H,20,24)(H,21,23).
What are the key properties of 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).