6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide

C15H16N4O — CID 24695377

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C15H16N4O/c16-15(18-20)12-5-6-14(17-9-12)19-8-7-11-3-1-2-4-13(11)10-19/h1-6,9,20H,7-8,10H2,(H2,16,18)
InChIKeyBONOGKQGFRETMQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.74
Rot. Bonds2

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 24695377) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID24695377
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C15H16N4O/c16-15(18-20)12-5-6-14(17-9-12)19-8-7-11-3-1-2-4-13(11)10-19/h1-6,9,20H,7-8,10H2,(H2,16,18)
InChIKeyBONOGKQGFRETMQ-UHFFFAOYSA-N
XLogP1.74
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 84570648
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77047412
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide (CID 24695377) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is BONOGKQGFRETMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-15(18-20)12-5-6-14(17-9-12)19-8-7-11-3-1-2-4-13(11)10-19/h1-6,9,20H,7-8,10H2,(H2,16,18).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 268.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 24695377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).