N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C18H16FN5O — CID 109119531

IUPACN-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16FN5O/c19-14-6-4-13(5-7-14)11-22-18(25)16-8-9-17(24-23-16)21-12-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyHMDBPCQSCATSBJ-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109119531) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109119531
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16FN5O/c19-14-6-4-13(5-7-14)11-22-18(25)16-8-9-17(24-23-16)21-12-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyHMDBPCQSCATSBJ-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109119412
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109119531) is N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is HMDBPCQSCATSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-14-6-4-13(5-7-14)11-22-18(25)16-8-9-17(24-23-16)21-12-15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).