N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide

C19H17N3O2 — CID 164886449

IUPACN'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C19H17N3O2/c1-13-6-7-15-4-2-3-5-16(15)17(13)22-19(24)18(23)21-12-14-8-10-20-11-9-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYBWYGXVBNVDGII-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.80
Rot. Bonds3

About N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide

N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 164886449) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID164886449
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C19H17N3O2/c1-13-6-7-15-4-2-3-5-16(15)17(13)22-19(24)18(23)21-12-14-8-10-20-11-9-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyYBWYGXVBNVDGII-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dichlorophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518293
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
N'-(2-bromophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3838884
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
CID 166445054
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N-(2-methylnaphthalen-1-yl)but-2-enamide
CID 154201467
2-(2,5-dimethylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 82123372

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide (CID 164886449) is N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide is Cc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccncc1.
What is the InChIKey of N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is YBWYGXVBNVDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-6-7-15-4-2-3-5-16(15)17(13)22-19(24)18(23)21-12-14-8-10-20-11-9-14/h2-11H,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 319.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 164886449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).