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

C21H17N5O2 — CID 121101040

IUPAC2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C21H17N5O2/c1-14(21(28)24-19-8-2-7-18-16(19)6-4-12-23-18)26-20(27)10-9-17(25-26)15-5-3-11-22-13-15/h2-14H,1H3,(H,24,28)
InChIKeyQLHQTAMEOOWFFJ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.05
Rot. Bonds4

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

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide (PubChem CID 121101040) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
PubChem CID121101040
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C21H17N5O2/c1-14(21(28)24-19-8-2-7-18-16(19)6-4-12-23-18)26-20(27)10-9-17(25-26)15-5-3-11-22-13-15/h2-14H,1H3,(H,24,28)
InChIKeyQLHQTAMEOOWFFJ-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-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101297
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100932
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-oxothiolan-3-yl)propanamide
CID 121101028
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide (CID 121101040) is 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide is CC(C(=O)Nc1cccc2ncccc12)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
The InChIKey is QLHQTAMEOOWFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(21(28)24-19-8-2-7-18-16(19)6-4-12-23-18)26-20(27)10-9-17(25-26)15-5-3-11-22-13-15/h2-14H,1H3,(H,24,28).
What are the key properties of 2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide?
2-(6-oxo-3-pyridin-3-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-3-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 121101040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).