N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide

C13H17N3O2 — CID 108983935

IUPACN'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESC=CCNC(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-3-7-15-12(17)13(18)16(2)10-6-11-4-8-14-9-5-11/h3-5,8-9H,1,6-7,10H2,2H3,(H,15,17)
InChIKeyTUJGOYZOIHLRDR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.38
Rot. Bonds5

About N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide

N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108983935) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108983935
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESC=CCNC(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-3-7-15-12(17)13(18)16(2)10-6-11-4-8-14-9-5-11/h3-5,8-9H,1,6-7,10H2,2H3,(H,15,17)
InChIKeyTUJGOYZOIHLRDR-UHFFFAOYSA-N
XLogP0.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
2-[methyl(2-pyridin-4-ylethyl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296153
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108983935) is N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide is C=CCNC(=O)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is TUJGOYZOIHLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-7-15-12(17)13(18)16(2)10-6-11-4-8-14-9-5-11/h3-5,8-9H,1,6-7,10H2,2H3,(H,15,17).
What are the key properties of N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide?
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 247.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108983935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).