methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

C19H14F2N4O3 — CID 109129957

IUPACmethyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1
InChIInChI=1S/C19H14F2N4O3/c1-28-19(27)11-3-2-4-12(9-11)22-17-8-7-16(24-25-17)18(26)23-13-5-6-14(20)15(21)10-13/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyOSDQRULZGKZQBO-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.54
Rot. Bonds5

About methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (PubChem CID 109129957) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
PubChem CID109129957
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Namemethyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1
InChIInChI=1S/C19H14F2N4O3/c1-28-19(27)11-3-2-4-12(9-11)22-17-8-7-16(24-25-17)18(26)23-13-5-6-14(20)15(21)10-13/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyOSDQRULZGKZQBO-UHFFFAOYSA-N
XLogP3.54
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
methyl 3-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127560

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (CID 109129957) is methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is COC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1.
What is the InChIKey of methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The InChIKey is OSDQRULZGKZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-28-19(27)11-3-2-4-12(9-11)22-17-8-7-16(24-25-17)18(26)23-13-5-6-14(20)15(21)10-13/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate has a molecular weight of 384.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109129957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).