6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide

C13H11N5O2 — CID 107469830

IUPAC6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(N)nn1
InChIInChI=1S/C13H11N5O2/c1-20-10-4-2-3-8(7-14)12(10)16-13(19)9-5-6-11(15)18-17-9/h2-6H,1H3,(H2,15,18)(H,16,19)
InChIKeySVPPHQMDLYGAMY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.19
Rot. Bonds3

About 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide

6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 107469830) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID107469830
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1ccc(N)nn1
InChIInChI=1S/C13H11N5O2/c1-20-10-4-2-3-8(7-14)12(10)16-13(19)9-5-6-11(15)18-17-9/h2-6H,1H3,(H2,15,18)(H,16,19)
InChIKeySVPPHQMDLYGAMY-UHFFFAOYSA-N
XLogP1.19
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
N-(2-cyano-6-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 107468084
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide (CID 107469830) is 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide is COc1cccc(C#N)c1NC(=O)c1ccc(N)nn1.
What is the InChIKey of 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is SVPPHQMDLYGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-10-4-2-3-8(7-14)12(10)16-13(19)9-5-6-11(15)18-17-9/h2-6H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide?
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 107469830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).