methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate

C19H15ClN4O3 — CID 139512426

IUPACmethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nn1
InChIInChI=1S/C19H15ClN4O3/c1-27-19(26)16-7-6-15(23-24-16)18(25)22-17-8-5-13(11-21-17)9-12-3-2-4-14(20)10-12/h2-8,10-11H,9H2,1H3,(H,21,22,25)
InChIKeyKJVWTKYACBDEPQ-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.15
Rot. Bonds5

About methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate

methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate (PubChem CID 139512426) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate
PubChem CID139512426
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Namemethyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nn1
InChIInChI=1S/C19H15ClN4O3/c1-27-19(26)16-7-6-15(23-24-16)18(25)22-17-8-5-13(11-21-17)9-12-3-2-4-14(20)10-12/h2-8,10-11H,9H2,1H3,(H,21,22,25)
InChIKeyKJVWTKYACBDEPQ-UHFFFAOYSA-N
XLogP3.15
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate (CID 139512426) is methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nn1.
What is the InChIKey of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate?
The InChIKey is KJVWTKYACBDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-27-19(26)16-7-6-15(23-24-16)18(25)22-17-8-5-13(11-21-17)9-12-3-2-4-14(20)10-12/h2-8,10-11H,9H2,1H3,(H,21,22,25).
What are the key properties of methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate?
methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate has a molecular weight of 382.81 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]carbamoyl]pyridazine-3-carboxylate is sourced from PubChem (CID 139512426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).