N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide

C22H17N3O2 — CID 166445054

IUPACN'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-21(24-14-17-9-5-6-12-23-17)22(27)25-20-18-10-3-1-7-15(18)13-16-8-2-4-11-19(16)20/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyILYOPOVFWZETII-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.64
Rot. Bonds3

About N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide

N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 166445054) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
PubChem CID166445054
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccn1)C(=O)Nc1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H17N3O2/c26-21(24-14-17-9-5-6-12-23-17)22(27)25-20-18-10-3-1-7-15(18)13-16-8-2-4-11-19(16)20/h1-13H,14H2,(H,24,26)(H,25,27)
InChIKeyILYOPOVFWZETII-UHFFFAOYSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N'-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108502784
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
methyl 3-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108985074
N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2890332

Frequently Asked Questions

What is the IUPAC name of N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide (CID 166445054) is N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccccn1)C(=O)Nc1c2ccccc2cc2ccccc12.
What is the InChIKey of N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is ILYOPOVFWZETII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-21(24-14-17-9-5-6-12-23-17)22(27)25-20-18-10-3-1-7-15(18)13-16-8-2-4-11-19(16)20/h1-13H,14H2,(H,24,26)(H,25,27).
What are the key properties of N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide?
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 355.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 166445054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).