N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide

C16H18N4O — CID 136990684

IUPACN'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCCCc3ccccc32)cn1
InChIInChI=1S/C16H18N4O/c17-16(19-21)14-9-8-13(11-18-14)20-10-4-3-6-12-5-1-2-7-15(12)20/h1-2,5,7-9,11,21H,3-4,6,10H2,(H2,17,19)
InChIKeyHQYPUNAQORUXSV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds2

About N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide

N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide (PubChem CID 136990684) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide
PubChem CID136990684
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(N2CCCCc3ccccc32)cn1
InChIInChI=1S/C16H18N4O/c17-16(19-21)14-9-8-13(11-18-14)20-10-4-3-6-12-5-1-2-7-15(12)20/h1-2,5,7-9,11,21H,3-4,6,10H2,(H2,17,19)
InChIKeyHQYPUNAQORUXSV-UHFFFAOYSA-N
XLogP2.65
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
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

1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-pyridinyl]ethanone
CID 83120051
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
N-(4-cyanophenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197949
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109197953
5-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136766533
N-(1,3-benzodioxol-5-yl)-5-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109197942
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109189865
(4-benzylpiperazin-1-yl)-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109193357
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide (CID 136990684) is N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(N2CCCCc3ccccc32)cn1.
What is the InChIKey of N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide?
The InChIKey is HQYPUNAQORUXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-16(19-21)14-9-8-13(11-18-14)20-10-4-3-6-12-5-1-2-7-15(12)20/h1-2,5,7-9,11,21H,3-4,6,10H2,(H2,17,19).
What are the key properties of N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide?
N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide has a molecular weight of 282.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 136990684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).