5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

C19H18N2O3 — CID 4054235

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)Nc3ccncc3)o2)c1
InChIInChI=1S/C19H18N2O3/c1-13-3-4-14(2)18(11-13)23-12-16-5-6-17(24-16)19(22)21-15-7-9-20-10-8-15/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyVYTRUHMGFSNSKK-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds5

About 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (PubChem CID 4054235) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
PubChem CID4054235
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)Nc3ccncc3)o2)c1
InChIInChI=1S/C19H18N2O3/c1-13-3-4-14(2)18(11-13)23-12-16-5-6-17(24-16)19(22)21-15-7-9-20-10-8-15/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyVYTRUHMGFSNSKK-UHFFFAOYSA-N
XLogP4.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide (CID 4054235) is 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccncc3)o2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is VYTRUHMGFSNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-3-4-14(2)18(11-13)23-12-16-5-6-17(24-16)19(22)21-15-7-9-20-10-8-15/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 4054235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).