6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C18H16FN5O — CID 109119412

IUPAC6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-13(2-4-15)11-21-17-6-5-16(23-24-17)18(25)22-12-14-7-9-20-10-8-14/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyZOFOCYXRQUEJNC-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.55
Rot. Bonds6

About 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109119412) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109119412
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(NCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H16FN5O/c19-15-3-1-13(2-4-15)11-21-17-6-5-16(23-24-17)18(25)22-12-14-7-9-20-10-8-14/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyZOFOCYXRQUEJNC-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

N-[(4-fluorophenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119531
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-butyl-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109110806
6-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121372
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
6-(3-methoxypropylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109114110
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
6-chloro-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 60858368
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109119412) is 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(NCc2ccc(F)cc2)nn1.
What is the InChIKey of 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is ZOFOCYXRQUEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-15-3-1-13(2-4-15)11-21-17-6-5-16(23-24-17)18(25)22-12-14-7-9-20-10-8-14/h1-10H,11-12H2,(H,21,24)(H,22,25).
What are the key properties of 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)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 6-[(4-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).