6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

C21H19ClN4O3 — CID 135303776

IUPAC6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESO=C(N[C@H](CO)C1CC1)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19ClN4O3/c22-15-7-5-13(6-8-15)18-10-17(20(28)24-19(12-27)14-3-4-14)21(29)26(25-18)16-2-1-9-23-11-16/h1-2,5-11,14,19,27H,3-4,12H2,(H,24,28)/t19-/m1/s1
InChIKeyHVZNGJJGFSIQRR-LJQANCHMSA-N
MW410.86 g/mol
LogP2.45
Rot. Bonds6

About 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide

6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (PubChem CID 135303776) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
PubChem CID135303776
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
SMILESO=C(N[C@H](CO)C1CC1)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O
InChIInChI=1S/C21H19ClN4O3/c22-15-7-5-13(6-8-15)18-10-17(20(28)24-19(12-27)14-3-4-14)21(29)26(25-18)16-2-1-9-23-11-16/h1-2,5-11,14,19,27H,3-4,12H2,(H,24,28)/t19-/m1/s1
InChIKeyHVZNGJJGFSIQRR-LJQANCHMSA-N
XLogP2.45
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 44440744
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
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
6-(4-chlorophenyl)-N-(2,3-dihydroxypropyl)-2-(5-fluoro-3-pyridinyl)-3-oxopyridazine-4-carboxamide
CID 135303730
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
6-(4-chlorophenyl)-N-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303740
6-(4-chlorophenyl)-N-(3,3-difluoro-2-hydroxycyclohexyl)-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide
CID 135303741

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide (CID 135303776) is 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is O=C(N[C@H](CO)C1CC1)c1cc(-c2ccc(Cl)cc2)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
The InChIKey is HVZNGJJGFSIQRR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-15-7-5-13(6-8-15)18-10-17(20(28)24-19(12-27)14-3-4-14)21(29)26(25-18)16-2-1-9-23-11-16/h1-2,5-11,14,19,27H,3-4,12H2,(H,24,28)/t19-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide?
6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-3-oxo-2-pyridin-3-ylpyridazine-4-carboxamide is sourced from PubChem (CID 135303776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).