N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C16H17N3O2 — CID 2174265

IUPACN'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-12-6-8-13(9-7-12)19-16(21)15(20)18-11-14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyWEVYSDHOAPFATC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.90
Rot. Bonds4

About N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2174265) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID2174265
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-2-12-6-8-13(9-7-12)19-16(21)15(20)18-11-14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyWEVYSDHOAPFATC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-4-methyl-pyridin-2-ylmethyl)-acetamide
CID 447221
Tagorizine
CID 6436051
UR-12460
CID 9889404
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
4-(Pyridin-2-yl)aniline
CID 459518
N-Desmethylpheniramine
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methyl N-{4-[(pyridin-4-yl)methyl]phenyl}carbamate
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N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-2-yl)phenyl]pentanamide
CID 10924832
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 2174265) is N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is WEVYSDHOAPFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-12-6-8-13(9-7-12)19-16(21)15(20)18-11-14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2174265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).