6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide

C16H18N4O2 — CID 109110513

IUPAC6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(C)ccc2OC)nn1
InChIInChI=1S/C16H18N4O2/c1-4-9-17-16(21)12-6-8-15(20-19-12)18-13-10-11(2)5-7-14(13)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,20)
InChIKeyDFSPNSJIYAFKEO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.45
Rot. Bonds6

About 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide

6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110513) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110513
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2cc(C)ccc2OC)nn1
InChIInChI=1S/C16H18N4O2/c1-4-9-17-16(21)12-6-8-15(20-19-12)18-13-10-11(2)5-7-14(13)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,20)
InChIKeyDFSPNSJIYAFKEO-UHFFFAOYSA-N
XLogP2.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109122177
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109123473
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110495
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide (CID 109110513) is 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2cc(C)ccc2OC)nn1.
What is the InChIKey of 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is DFSPNSJIYAFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-9-17-16(21)12-6-8-15(20-19-12)18-13-10-11(2)5-7-14(13)22-3/h4-8,10H,1,9H2,2-3H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).