methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate

C19H15ClN4O3 — CID 175097354

IUPACmethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nn1
InChIInChI=1S/C19H15ClN4O3/c1-27-19(26)16-9-8-15(22-23-16)18(25)24(17-7-2-3-10-21-17)12-13-5-4-6-14(20)11-13/h2-11H,12H2,1H3
InChIKeyQSWYEPAGKBPWQA-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.16
Rot. Bonds5

About methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate

methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate (PubChem CID 175097354) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate
PubChem CID175097354
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Namemethyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nn1
InChIInChI=1S/C19H15ClN4O3/c1-27-19(26)16-9-8-15(22-23-16)18(25)24(17-7-2-3-10-21-17)12-13-5-4-6-14(20)11-13/h2-11H,12H2,1H3
InChIKeyQSWYEPAGKBPWQA-UHFFFAOYSA-N
XLogP3.16
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate (CID 175097354) is methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate is COC(=O)c1ccc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)nn1.
What is the InChIKey of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate?
The InChIKey is QSWYEPAGKBPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-27-19(26)16-9-8-15(22-23-16)18(25)24(17-7-2-3-10-21-17)12-13-5-4-6-14(20)11-13/h2-11H,12H2,1H3.
What are the key properties of methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate?
methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate has a molecular weight of 382.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-chlorophenyl)methyl-pyridin-2-ylcarbamoyl]pyridazine-3-carboxylate is sourced from PubChem (CID 175097354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).