4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide

C18H16N4O3S — CID 126852034

IUPAC4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1cscc1C(N)=O)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H16N4O3S/c1-11(18(25)20-15-10-26-9-13(15)17(19)24)22-16(23)8-7-14(21-22)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,24)(H,20,25)
InChIKeySSDNOQBEKJHFNB-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.27
Rot. Bonds5

About 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide

4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide (PubChem CID 126852034) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide
PubChem CID126852034
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide
SMILESCC(C(=O)Nc1cscc1C(N)=O)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H16N4O3S/c1-11(18(25)20-15-10-26-9-13(15)17(19)24)22-16(23)8-7-14(21-22)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,24)(H,20,25)
InChIKeySSDNOQBEKJHFNB-UHFFFAOYSA-N
XLogP2.27
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]benzoate
CID 121101150
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623367
N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 121075800
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101126
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101297
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide (CID 126852034) is 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide is CC(C(=O)Nc1cscc1C(N)=O)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide?
The InChIKey is SSDNOQBEKJHFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11(18(25)20-15-10-26-9-13(15)17(19)24)22-16(23)8-7-14(21-22)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,24)(H,20,25).
What are the key properties of 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide?
4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 126852034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).