N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide

C16H17N3O2 — CID 44997210

IUPACN'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccccc2)nc1
InChIInChI=1S/C16H17N3O2/c1-12-7-8-14(18-11-12)19-16(21)15(20)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyVGIWSWHZKQVANJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.69
Rot. Bonds4

About N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide

N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide (PubChem CID 44997210) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide
PubChem CID44997210
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCc2ccccc2)nc1
InChIInChI=1S/C16H17N3O2/c1-12-7-8-14(18-11-12)19-16(21)15(20)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyVGIWSWHZKQVANJ-UHFFFAOYSA-N
XLogP1.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.69
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

3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111135258
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
N'-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)oxamide
CID 44997230
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-(2-benzylsulfanylethyl)-3-(5-methyl-2-pyridinyl)thiourea
CID 100586045
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
1-(5-bromo-2-pyridinyl)-3-(2-phenylethyl)thiourea
CID 2429552
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
CID 118638719

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide (CID 44997210) is N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)nc1.
What is the InChIKey of N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide?
The InChIKey is VGIWSWHZKQVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-7-8-14(18-11-12)19-16(21)15(20)17-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide?
N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-2-pyridinyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 44997210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).