4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide

C16H13Cl2N5O — CID 137391063

IUPAC4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
SMILESCN(C)c1c(C(N)=O)cnc2c(-c3cccc(Cl)c3Cl)cnnc12
InChIInChI=1S/C16H13Cl2N5O/c1-23(2)15-10(16(19)24)6-20-13-9(7-21-22-14(13)15)8-4-3-5-11(17)12(8)18/h3-7H,1-2H3,(H2,19,24)
InChIKeyFKZQUNJUPJUEPT-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.16
Rot. Bonds3

About 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide

4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide (PubChem CID 137391063) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
PubChem CID137391063
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide
SMILESCN(C)c1c(C(N)=O)cnc2c(-c3cccc(Cl)c3Cl)cnnc12
InChIInChI=1S/C16H13Cl2N5O/c1-23(2)15-10(16(19)24)6-20-13-9(7-21-22-14(13)15)8-4-3-5-11(17)12(8)18/h3-7H,1-2H3,(H2,19,24)
InChIKeyFKZQUNJUPJUEPT-UHFFFAOYSA-N
XLogP3.16
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide (CID 137391063) is 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide is CN(C)c1c(C(N)=O)cnc2c(-c3cccc(Cl)c3Cl)cnnc12.
What is the InChIKey of 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide?
The InChIKey is FKZQUNJUPJUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-23(2)15-10(16(19)24)6-20-13-9(7-21-22-14(13)15)8-4-3-5-11(17)12(8)18/h3-7H,1-2H3,(H2,19,24).
What are the key properties of 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide?
4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-c]pyridazine-7-carboxamide is sourced from PubChem (CID 137391063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).