4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide

C23H25FN6O2 — CID 118320609

IUPAC4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cccc(CN3CCOCC3)c2)cc1NCc1cccc(F)c1
InChIInChI=1S/C23H25FN6O2/c24-18-5-1-3-16(11-18)14-26-20-13-21(28-29-22(20)23(25)31)27-19-6-2-4-17(12-19)15-30-7-9-32-10-8-30/h1-6,11-13H,7-10,14-15H2,(H2,25,31)(H2,26,27,28)
InChIKeyVADHYIIKZYCCNZ-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.90
Rot. Bonds8

About 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide

4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide (PubChem CID 118320609) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide
PubChem CID118320609
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(Nc2cccc(CN3CCOCC3)c2)cc1NCc1cccc(F)c1
InChIInChI=1S/C23H25FN6O2/c24-18-5-1-3-16(11-18)14-26-20-13-21(28-29-22(20)23(25)31)27-19-6-2-4-17(12-19)15-30-7-9-32-10-8-30/h1-6,11-13H,7-10,14-15H2,(H2,25,31)(H2,26,27,28)
InChIKeyVADHYIIKZYCCNZ-UHFFFAOYSA-N
XLogP2.90
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide (CID 118320609) is 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide is NC(=O)c1nnc(Nc2cccc(CN3CCOCC3)c2)cc1NCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is VADHYIIKZYCCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-18-5-1-3-16(11-18)14-26-20-13-21(28-29-22(20)23(25)31)27-19-6-2-4-17(12-19)15-30-7-9-32-10-8-30/h1-6,11-13H,7-10,14-15H2,(H2,25,31)(H2,26,27,28).
What are the key properties of 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide?
4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylamino]-6-[3-(morpholin-4-ylmethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 118320609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).