6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide

C16H20N4O3 — CID 109109731

IUPAC6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC(C)C)nn2)c(OC)c1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-16(21)13-7-8-15(20-19-13)18-12-6-5-11(22-3)9-14(12)23-4/h5-10H,1-4H3,(H,17,21)(H,18,20)
InChIKeyBSGDWXSJHPPXRV-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.38
Rot. Bonds6

About 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide

6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109731) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109731
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC(C)C)nn2)c(OC)c1
InChIInChI=1S/C16H20N4O3/c1-10(2)17-16(21)13-7-8-15(20-19-13)18-12-6-5-11(22-3)9-14(12)23-4/h5-10H,1-4H3,(H,17,21)(H,18,20)
InChIKeyBSGDWXSJHPPXRV-UHFFFAOYSA-N
XLogP2.38
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127745
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
6-(2,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122035
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109109731) is 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)NC(C)C)nn2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BSGDWXSJHPPXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)17-16(21)13-7-8-15(20-19-13)18-12-6-5-11(22-3)9-14(12)23-4/h5-10H,1-4H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide?
6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).