N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane

C20H29N3O2 — CID 90877538

IUPACN'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
SMILESCC.CC.O=C(NCCc1ccccn1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O2.2C2H6/c20-15(18-11-9-14-8-4-5-10-17-14)16(21)19-12-13-6-2-1-3-7-13;2*1-2/h1-8,10H,9,11-12H2,(H,18,20)(H,19,21);2*1-2H3
InChIKeyNACCNZVZBUQTAG-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.11
Rot. Bonds5

About N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane

N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane (PubChem CID 90877538) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane.

Molecular Properties

Compound NameN'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
PubChem CID90877538
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
SMILESCC.CC.O=C(NCCc1ccccn1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O2.2C2H6/c20-15(18-11-9-14-8-4-5-10-17-14)16(21)19-12-13-6-2-1-3-7-13;2*1-2/h1-8,10H,9,11-12H2,(H,18,20)(H,19,21);2*1-2H3
InChIKeyNACCNZVZBUQTAG-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.11
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-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-pyridin-2-ylethylsulfamoyl N-benzylcarbamate
CID 91276890
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 11221120
N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
CID 57331135
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 174254808

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane?
The IUPAC name of N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane (CID 90877538) is N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane.
What is the SMILES notation for N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane?
The canonical SMILES for N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane is CC.CC.O=C(NCCc1ccccn1)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane?
The InChIKey is NACCNZVZBUQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.2C2H6/c20-15(18-11-9-14-8-4-5-10-17-14)16(21)19-12-13-6-2-1-3-7-13;2*1-2/h1-8,10H,9,11-12H2,(H,18,20)(H,19,21);2*1-2H3.
What are the key properties of N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane?
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane has a molecular weight of 343.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane is sourced from PubChem (CID 90877538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).