2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide

C21H17N5O2 — CID 121101297

IUPAC2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C21H17N5O2/c1-14(21(28)24-19-6-2-5-18-16(19)4-3-11-23-18)26-20(27)8-7-17(25-26)15-9-12-22-13-10-15/h2-14H,1H3,(H,24,28)
InChIKeyLGGXAPBGCDXYFH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.05
Rot. Bonds4

About 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide

2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide (PubChem CID 121101297) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
PubChem CID121101297
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C21H17N5O2/c1-14(21(28)24-19-6-2-5-18-16(19)4-3-11-23-18)26-20(27)8-7-17(25-26)15-9-12-22-13-10-15/h2-14H,1H3,(H,24,28)
InChIKeyLGGXAPBGCDXYFH-UHFFFAOYSA-N
XLogP3.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101040
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
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
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-3-ylpyridazin-1-yl)propanamide
CID 121100989
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide (CID 121101297) is 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide is CC(C(=O)Nc1cccc2ncccc12)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The InChIKey is LGGXAPBGCDXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(21(28)24-19-6-2-5-18-16(19)4-3-11-23-18)26-20(27)8-7-17(25-26)15-9-12-22-13-10-15/h2-14H,1H3,(H,24,28).
What are the key properties of 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide has a molecular weight of 371.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 121101297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).