3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide

C13H11Cl2N3O2 — CID 103606489

IUPAC3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O2/c1-20-9-4-2-8(3-5-9)7-16-13(19)10-6-11(14)17-18-12(10)15/h2-6H,7H2,1H3,(H,16,19)
InChIKeyPPHXPHSRKBIOES-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.72
Rot. Bonds4

About 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide

3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide (PubChem CID 103606489) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
PubChem CID103606489
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O2/c1-20-9-4-2-8(3-5-9)7-16-13(19)10-6-11(14)17-18-12(10)15/h2-6H,7H2,1H3,(H,16,19)
InChIKeyPPHXPHSRKBIOES-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide (CID 103606489) is 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide is COc1ccc(CNC(=O)c2cc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide?
The InChIKey is PPHXPHSRKBIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-20-9-4-2-8(3-5-9)7-16-13(19)10-6-11(14)17-18-12(10)15/h2-6H,7H2,1H3,(H,16,19).
What are the key properties of 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 103606489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).