6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide

C17H22N4O2 — CID 109125507

IUPAC6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-3-4-7-12-18-17(22)14-10-11-16(21-20-14)19-13-8-5-6-9-15(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyPLZAUGZNNDGRFG-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.15
Rot. Bonds8

About 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide

6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide (PubChem CID 109125507) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
PubChem CID109125507
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccccc2OC)nn1
InChIInChI=1S/C17H22N4O2/c1-3-4-7-12-18-17(22)14-10-11-16(21-20-14)19-13-8-5-6-9-15(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyPLZAUGZNNDGRFG-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109122026
6-(2-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122308
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122427
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109113677
N-[6-(2-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048085
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
ethyl 4-[[6-(2-methoxyanilino)pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109123792
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide (CID 109125507) is 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(Nc2ccccc2OC)nn1.
What is the InChIKey of 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide?
The InChIKey is PLZAUGZNNDGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-7-12-18-17(22)14-10-11-16(21-20-14)19-13-8-5-6-9-15(13)23-2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide?
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide is sourced from PubChem (CID 109125507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).