N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide

C18H18N4O2 — CID 113046884

IUPACN-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccco2)nn1
InChIInChI=1S/C18H18N4O2/c1-3-13-7-4-6-12(2)17(13)19-15-9-10-16(22-21-15)20-18(23)14-8-5-11-24-14/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyFTYJZHHZVDMKQO-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.94
Rot. Bonds5

About N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide

N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide (PubChem CID 113046884) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
PubChem CID113046884
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(NC(=O)c2ccco2)nn1
InChIInChI=1S/C18H18N4O2/c1-3-13-7-4-6-12(2)17(13)19-15-9-10-16(22-21-15)20-18(23)14-8-5-11-24-14/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyFTYJZHHZVDMKQO-UHFFFAOYSA-N
XLogP3.94
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-ethyl-6-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 8761819
N-[6-[4-(diethylamino)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113049661
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[6-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050980
3-(dimethylsulfamoylamino)-6-(2-ethyl-6-methylanilino)pyridazine
CID 113046901

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide (CID 113046884) is N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide is CCc1cccc(C)c1Nc1ccc(NC(=O)c2ccco2)nn1.
What is the InChIKey of N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is FTYJZHHZVDMKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-13-7-4-6-12(2)17(13)19-15-9-10-16(22-21-15)20-18(23)14-8-5-11-24-14/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide?
N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-6-methylanilino)pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 113046884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).