N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide

C24H18ClFN6O3 — CID 175106752

About N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide

N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide (PubChem CID 175106752) has the molecular formula C24H18ClFN6O3 and a molecular weight of 492.90 g/mol. Its IUPAC name is N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide
• PubChem CID: 175106752
• Molecular Formula: C24H18ClFN6O3
• Molecular Weight: 492.90 g/mol
• Exact Mass: 492.11
• IUPAC Name: N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide
• SMILES: C=CCc1cc(F)ccc1-c1c[nH]nc(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)nc2)c1=O
• InChI: InChI=1S/C24H18ClFN6O3/c1-2-3-13-10-14(26)4-6-16(13)17-12-30-32-21(22(17)33)24(34)31-15-5-7-19(29-11-15)35-18-8-9-28-23(27)20(18)25/h2,4-12H,1,3H2,(H2,27,28)(H,30,33)(H,31,34)
• InChIKey: PLLCIVBUUSBOGG-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 135.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.90
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?

The IUPAC name of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide (CID 175106752) is N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide.

What is the SMILES notation for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?

The canonical SMILES for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide is C=CCc1cc(F)ccc1-c1c[nH]nc(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)nc2)c1=O.

What is the InChIKey of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?

The InChIKey is PLLCIVBUUSBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O3/c1-2-3-13-10-14(26)4-6-16(13)17-12-30-32-21(22(17)33)24(34)31-15-5-7-19(29-11-15)35-18-8-9-28-23(27)20(18)25/h2,4-12H,1,3H2,(H2,27,28)(H,30,33)(H,31,34).

What are the key properties of N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide?

N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 492.90 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-pyridinyl]-5-(4-fluoro-2-prop-2-enylphenyl)-4-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 175106752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).