N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

C22H19N5O2 — CID 109129475

IUPACN-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)25-22(28)18-12-13-20(27-26-18)24-17-10-5-7-15-8-6-14-23-21(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyVSIRFSFDGKXSMF-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.42
Rot. Bonds6

About N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide

N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (PubChem CID 109129475) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
PubChem CID109129475
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1
InChIInChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)25-22(28)18-12-13-20(27-26-18)24-17-10-5-7-15-8-6-14-23-21(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyVSIRFSFDGKXSMF-UHFFFAOYSA-N
XLogP4.42
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propan-2-yloxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109129615
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
methyl 2-[[6-(quinolin-8-ylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109129923
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127965
N-butan-2-yl-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109111701
6-(2,6-dimethylanilino)-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109127790
6-[(2-methoxyphenyl)methylamino]-N-quinolin-8-ylpyridazine-3-carboxamide
CID 109120046
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
6-(2-ethoxyanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127101
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
N-[2-(dimethylamino)ethyl]-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109115481

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide (CID 109129475) is N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is CCOc1ccccc1NC(=O)c1ccc(Nc2cccc3cccnc23)nn1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
The InChIKey is VSIRFSFDGKXSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-2-29-19-11-4-3-9-16(19)25-22(28)18-12-13-20(27-26-18)24-17-10-5-7-15-8-6-14-23-21(15)17/h3-14H,2H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide?
N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).