(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide

C19H21N3O3 — CID 95803087

IUPAC(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide
SMILESC[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc21
InChIInChI=1S/C19H21N3O3/c1-11(22-17(23)9-15-10-25-12(2)18(15)21-22)19(24)20-16-7-6-13-4-3-5-14(13)8-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,24)/t11-,12+/m1/s1
InChIKeyGEQSVZWBZZGBNK-NEPJUHHUSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds3

About (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide (PubChem CID 95803087) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide
PubChem CID95803087
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide
SMILESC[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc21
InChIInChI=1S/C19H21N3O3/c1-11(22-17(23)9-15-10-25-12(2)18(15)21-22)19(24)20-16-7-6-13-4-3-5-14(13)8-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,24)/t11-,12+/m1/s1
InChIKeyGEQSVZWBZZGBNK-NEPJUHHUSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide (CID 95803087) is (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide is C[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)nc21.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide?
The InChIKey is GEQSVZWBZZGBNK-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11(22-17(23)9-15-10-25-12(2)18(15)21-22)19(24)20-16-7-6-13-4-3-5-14(13)8-16/h6-9,11-12H,3-5,10H2,1-2H3,(H,20,24)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide?
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(7S)-7-methyl-3-oxo-5,7-dihydrofuro[3,4-c]pyridazin-2-yl]propanamide is sourced from PubChem (CID 95803087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).