N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide

C22H17N3O2 — CID 136948131

IUPACN'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide
SMILESN/C(=N/O)c1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C22H17N3O2/c23-21(25-27)20-18(15-7-2-1-3-8-15)13-19(24-22(20)26)17-11-10-14-6-4-5-9-16(14)12-17/h1-13,27H,(H2,23,25)(H,24,26)
InChIKeyBXPAJFUPZATQGD-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.96
Rot. Bonds3

About N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide

N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide (PubChem CID 136948131) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide
PubChem CID136948131
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide
SMILESN/C(=N/O)c1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C22H17N3O2/c23-21(25-27)20-18(15-7-2-1-3-8-15)13-19(24-22(20)26)17-11-10-14-6-4-5-9-16(14)12-17/h1-13,27H,(H2,23,25)(H,24,26)
InChIKeyBXPAJFUPZATQGD-UHFFFAOYSA-N
XLogP3.96
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134324247
2-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 54187003
2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82364972
N-methyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497282
4-(1-methylpyrrol-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
CID 19656594
5-naphthalen-2-yl-6-oxo-1H-pyridine-3-carboxylic acid
CID 53223531
4-(5-methylfuran-2-yl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonitrile
CID 133064841
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
CID 100996420
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
CID 136928051

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide (CID 136948131) is N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide is N/C(=N/O)c1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide?
The InChIKey is BXPAJFUPZATQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-21(25-27)20-18(15-7-2-1-3-8-15)13-19(24-22(20)26)17-11-10-14-6-4-5-9-16(14)12-17/h1-13,27H,(H2,23,25)(H,24,26).
What are the key properties of N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide?
N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide has a molecular weight of 355.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 136948131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).