N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide

C16H17N3O2 — CID 3136532

IUPACN'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12(13-7-3-2-4-8-13)19-16(21)15(20)18-11-14-9-5-6-10-17-14/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyASMNEBVXCYTMJO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.58
Rot. Bonds4

About N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 3136532) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
PubChem CID3136532
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-12(13-7-3-2-4-8-13)19-16(21)15(20)18-11-14-9-5-6-10-17-14/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyASMNEBVXCYTMJO-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
3-[[(1R)-1-phenylethyl]amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98298985
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide (CID 3136532) is N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide is CC(NC(=O)C(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide?
The InChIKey is ASMNEBVXCYTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(13-7-3-2-4-8-13)19-16(21)15(20)18-11-14-9-5-6-10-17-14/h2-10,12H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide?
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 3136532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).