6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C21H19ClN4O3 — CID 135303968

IUPAC6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19ClN4O3/c22-14-8-6-13(7-9-14)18-11-16(20(28)24-17-4-1-5-19(17)27)21(29)26(25-18)15-3-2-10-23-12-15/h2-3,6-12,17,19,27H,1,4-5H2,(H,24,28)/t17-,19+/m1/s1
InChIKeySCTUYMCENAAQPH-MJGOQNOKSA-N
MW410.86 g/mol
LogP2.59
Rot. Bonds4

About 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 135303968) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID135303968
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19ClN4O3/c22-14-8-6-13(7-9-14)18-11-16(20(28)24-17-4-1-5-19(17)27)21(29)26(25-18)15-3-2-10-23-12-15/h2-3,6-12,17,19,27H,1,4-5H2,(H,24,28)/t17-,19+/m1/s1
InChIKeySCTUYMCENAAQPH-MJGOQNOKSA-N
XLogP2.59
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304046
6-(4-chlorophenyl)-N-[(1S)-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 147983067
6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303776
methyl 6-(4-chlorophenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxylate
CID 135303887
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135304049
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 151372170
6-(4-chlorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142411146
2-(5-fluoro-3-pyridinyl)-N-(2-hydroxycyclopentyl)-3-oxo-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxamide
CID 155351322
6-(4-chlorophenyl)-N-[(2S)-1-hydroxy-3-iminopropan-2-yl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 156513223
6-(4-chlorophenyl)-N-[(3R)-4-hydroxyoxolan-3-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155351363
6-(4-chlorophenyl)-3-oxo-2-pyridin-3-yl-N-(1,1,4-trifluoro-3-hydroxy-3-methylbutan-2-yl)pyridazine-4-carboxamide
CID 175413314
N-(2-hydroxyethyl)-6-(4-methylphenyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 142410996

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 135303968) is 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is O=C(N[C@@H]1CCC[C@@H]1O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is SCTUYMCENAAQPH-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-14-8-6-13(7-9-14)18-11-16(20(28)24-17-4-1-5-19(17)27)21(29)26(25-18)15-3-2-10-23-12-15/h2-3,6-12,17,19,27H,1,4-5H2,(H,24,28)/t17-,19+/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(1R,2S)-2-hydroxycyclopentyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 135303968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).