N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide

C13H13N3O3 — CID 44997648

IUPACN-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccco2)n1
InChIInChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-13(18)12(17)14-8-10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyNJLANTSEGVMGAY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.24
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide

N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide (PubChem CID 44997648) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
PubChem CID44997648
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccco2)n1
InChIInChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-13(18)12(17)14-8-10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyNJLANTSEGVMGAY-UHFFFAOYSA-N
XLogP1.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide
CID 10806239
N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997594
N-(furan-2-ylmethyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 45492489
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide (CID 44997648) is N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is NJLANTSEGVMGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-4-2-6-11(15-9)16-13(18)12(17)14-8-10-5-3-7-19-10/h2-7H,8H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide?
N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 259.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44997648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).