6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide

C19H16ClFN4O4 — CID 135303730

IUPAC6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
SMILESO=C(NCC(O)CO)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C19H16ClFN4O4/c20-12-3-1-11(2-4-12)17-6-16(18(28)23-9-15(27)10-26)19(29)25(24-17)14-5-13(21)7-22-8-14/h1-8,15,26-27H,9-10H2,(H,23,28)
InChIKeyKYRPGMCCYUUIJE-UHFFFAOYSA-N
MW418.81 g/mol
LogP1.17
Rot. Bonds6

About 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide

6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide (PubChem CID 135303730) has the molecular formula C19H16ClFN4O4 and a molecular weight of 418.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
PubChem CID135303730
Molecular FormulaC19H16ClFN4O4
Molecular Weight418.81 g/mol
Exact Mass418.08
IUPAC Name6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
SMILESO=C(NCC(O)CO)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O
InChIInChI=1S/C19H16ClFN4O4/c20-12-3-1-11(2-4-12)17-6-16(18(28)23-9-15(27)10-26)19(29)25(24-17)14-5-13(21)7-22-8-14/h1-8,15,26-27H,9-10H2,(H,23,28)
InChIKeyKYRPGMCCYUUIJE-UHFFFAOYSA-N
XLogP1.17
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3238049
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 3611294
N-[(4-chlorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 59017964
N-[(4-chloro-2-fluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018037
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132167732
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132167918
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-(1-hydroxy-3-pyridin-4-ylpropan-2-yl)-3-oxopyridazine-4-carboxamide
CID 132168098
6-(4-chlorophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
CID 135303729
N-[(2S)-2,3-dihydroxypropyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303731
N-(2,3-dihydroxypropyl)-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303732
6-(4-chlorophenyl)-2-(5-fluoropyridin-3-yl)-3-oxo-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
CID 135303738
6-(4-chlorophenyl)-N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303739

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide (CID 135303730) is 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide is O=C(NCC(O)CO)c1cc(-c2ccc(Cl)cc2)nn(-c2cncc(F)c2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is KYRPGMCCYUUIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O4/c20-12-3-1-11(2-4-12)17-6-16(18(28)23-9-15(27)10-26)19(29)25(24-17)14-5-13(21)7-22-8-14/h1-8,15,26-27H,9-10H2,(H,23,28).
What are the key properties of 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 418.81 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 135303730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).