N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C23H26N4O2 — CID 41278411

IUPACN-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-3-26(19-11-6-4-7-12-19)16-10-15-24-23(29)22-21(28)17-18(2)27(25-22)20-13-8-5-9-14-20/h4-9,11-14,17H,3,10,15-16H2,1-2H3,(H,24,29)
InChIKeyVIFGMZYADRCDFT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.19
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 41278411) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID41278411
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN(CCCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-3-26(19-11-6-4-7-12-19)16-10-15-24-23(29)22-21(28)17-18(2)27(25-22)20-13-8-5-9-14-20/h4-9,11-14,17H,3,10,15-16H2,1-2H3,(H,24,29)
InChIKeyVIFGMZYADRCDFT-UHFFFAOYSA-N
XLogP3.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-[2-(furan-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17448047
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
N-[3-(N-ethylanilino)propyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4090836
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-phenylpyridazine-3-carboxamide
CID 35417792
1-(2-fluorophenyl)-6-methyl-N-[4-(N-methylanilino)butyl]-4-oxopyridazine-3-carboxamide
CID 60566526
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 41278411) is N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is CCN(CCCNC(=O)c1nn(-c2ccccc2)c(C)cc1=O)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is VIFGMZYADRCDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-26(19-11-6-4-7-12-19)16-10-15-24-23(29)22-21(28)17-18(2)27(25-22)20-13-8-5-9-14-20/h4-9,11-14,17H,3,10,15-16H2,1-2H3,(H,24,29).
What are the key properties of N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 41278411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).