2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide

C18H16N2O2 — CID 2814925

IUPAC2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1
InChIInChI=1S/C18H16N2O2/c1-13-16(11-17(22-13)15-5-3-2-4-6-15)18(21)20-12-14-7-9-19-10-8-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyADNSKXGEVDLGKY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.58
Rot. Bonds4

About 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide

2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide (PubChem CID 2814925) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
PubChem CID2814925
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1
InChIInChI=1S/C18H16N2O2/c1-13-16(11-17(22-13)15-5-3-2-4-6-15)18(21)20-12-14-7-9-19-10-8-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyADNSKXGEVDLGKY-UHFFFAOYSA-N
XLogP3.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide (CID 2814925) is 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is ADNSKXGEVDLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-16(11-17(22-13)15-5-3-2-4-6-15)18(21)20-12-14-7-9-19-10-8-14/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide?
2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 2814925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).