phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

C16H16N2O — CID 10491030

IUPACphenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1ccccc1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H16N2O/c19-16(13-6-2-1-3-7-13)15-12-14(8-9-17-15)18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11H2
InChIKeyFFYMNHRJUMOPQC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.91
Rot. Bonds3

About phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 10491030) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID10491030
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Namephenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1ccccc1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H16N2O/c19-16(13-6-2-1-3-7-13)15-12-14(8-9-17-15)18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11H2
InChIKeyFFYMNHRJUMOPQC-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 10491030) is phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is O=C(c1ccccc1)c1cc(N2CCCC2)ccn1.
What is the InChIKey of phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is FFYMNHRJUMOPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(13-6-2-1-3-7-13)15-12-14(8-9-17-15)18-10-4-5-11-18/h1-3,6-9,12H,4-5,10-11H2.
What are the key properties of phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 252.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 10491030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).