N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide

C18H16N2O3 — CID 47042526

IUPACN-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1ccoc1
InChIInChI=1S/C18H16N2O3/c21-17(16-8-10-22-13-16)20-11-15-7-4-9-19-18(15)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21)
InChIKeyGQDPUEHSINVSFK-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.18
Rot. Bonds6

About N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide

N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide (PubChem CID 47042526) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
PubChem CID47042526
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1ccoc1
InChIInChI=1S/C18H16N2O3/c21-17(16-8-10-22-13-16)20-11-15-7-4-9-19-18(15)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21)
InChIKeyGQDPUEHSINVSFK-UHFFFAOYSA-N
XLogP3.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide (CID 47042526) is N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide is O=C(NCc1cccnc1OCc1ccccc1)c1ccoc1.
What is the InChIKey of N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide?
The InChIKey is GQDPUEHSINVSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(16-8-10-22-13-16)20-11-15-7-4-9-19-18(15)23-12-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,21).
What are the key properties of N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide?
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 47042526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).