N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H20N4O2 — CID 32919875

IUPACN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N4O2/c1-12(10-18-17(23)15-6-7-16(22)20-19-15)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,12H,8-11H2,1H3,(H,18,23)(H,20,22)/t12-/m0/s1
InChIKeyZTNDUDGNITYNMD-LBPRGKRZSA-N
MW312.37 g/mol
LogP0.95
Rot. Bonds4

About N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 32919875) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID32919875
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N4O2/c1-12(10-18-17(23)15-6-7-16(22)20-19-15)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,12H,8-11H2,1H3,(H,18,23)(H,20,22)/t12-/m0/s1
InChIKeyZTNDUDGNITYNMD-LBPRGKRZSA-N
XLogP0.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
CID 32929129
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866195
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37150102
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86926725
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 32924591
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 32919875) is N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZTNDUDGNITYNMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(10-18-17(23)15-6-7-16(22)20-19-15)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,12H,8-11H2,1H3,(H,18,23)(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 32919875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).