5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one

C17H18N2O3 — CID 52901061

IUPAC5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one
SMILESO=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C17H18N2O3/c20-15-10-14(17(21)19-8-4-5-9-19)18-11-16(15)22-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,18,20)
InChIKeyPKXUARGTZRNXKX-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.19
Rot. Bonds4

About 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one

5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one (PubChem CID 52901061) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one
PubChem CID52901061
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one
SMILESO=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCCC1
InChIInChI=1S/C17H18N2O3/c20-15-10-14(17(21)19-8-4-5-9-19)18-11-16(15)22-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,18,20)
InChIKeyPKXUARGTZRNXKX-UHFFFAOYSA-N
XLogP2.19
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one (CID 52901061) is 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one is O=C(c1cc(=O)c(OCc2ccccc2)c[nH]1)N1CCCC1.
What is the InChIKey of 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is PKXUARGTZRNXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15-10-14(17(21)19-8-4-5-9-19)18-11-16(15)22-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,18,20).
What are the key properties of 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one?
5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 298.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-(pyrrolidine-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 52901061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).