5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide

C13H14N2O3 — CID 121498410

IUPAC5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C)o2)cn1
InChIInChI=1S/C13H14N2O3/c1-15(2)13(16)11-6-5-10(18-11)9-4-7-12(17-3)14-8-9/h4-8H,1-3H3
InChIKeyRFNNZVVUSBEFJY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.05
Rot. Bonds3

About 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide

5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide (PubChem CID 121498410) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide
PubChem CID121498410
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C)C)o2)cn1
InChIInChI=1S/C13H14N2O3/c1-15(2)13(16)11-6-5-10(18-11)9-4-7-12(17-3)14-8-9/h4-8H,1-3H3
InChIKeyRFNNZVVUSBEFJY-UHFFFAOYSA-N
XLogP2.05
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide (CID 121498410) is 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide is COc1ccc(-c2ccc(C(=O)N(C)C)o2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide?
The InChIKey is RFNNZVVUSBEFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15(2)13(16)11-6-5-10(18-11)9-4-7-12(17-3)14-8-9/h4-8H,1-3H3.
What are the key properties of 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide?
5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 121498410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).