N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide

C15H17N3O3 — CID 174561707

IUPACN'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide
SMILESCc1ccc(CN(CCc2ccccn2)C(=O)C(N)=O)o1
InChIInChI=1S/C15H17N3O3/c1-11-5-6-13(21-11)10-18(15(20)14(16)19)9-7-12-4-2-3-8-17-12/h2-6,8H,7,9-10H2,1H3,(H2,16,19)
InChIKeyPURDYYNBYLKDKO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.04
Rot. Bonds5

About N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide

N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide (PubChem CID 174561707) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide
PubChem CID174561707
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide
SMILESCc1ccc(CN(CCc2ccccn2)C(=O)C(N)=O)o1
InChIInChI=1S/C15H17N3O3/c1-11-5-6-13(21-11)10-18(15(20)14(16)19)9-7-12-4-2-3-8-17-12/h2-6,8H,7,9-10H2,1H3,(H2,16,19)
InChIKeyPURDYYNBYLKDKO-UHFFFAOYSA-N
XLogP1.04
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[(5-methylfuran-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 167784536
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
N'-methyl-N'-(pyridin-2-ylmethyl)oxamide
CID 115192026
5-methyl-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 32623665
N-methyl-3-(5-methylfuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 102603870
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide (CID 174561707) is N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide is Cc1ccc(CN(CCc2ccccn2)C(=O)C(N)=O)o1.
What is the InChIKey of N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is PURDYYNBYLKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-5-6-13(21-11)10-18(15(20)14(16)19)9-7-12-4-2-3-8-17-12/h2-6,8H,7,9-10H2,1H3,(H2,16,19).
What are the key properties of N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide?
N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 287.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methylfuran-2-yl)methyl]-N'-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 174561707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).