(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone

C17H16N2O — CID 4879889

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16N2O/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)14-6-2-1-3-7-14/h1-9,11H,10,12-13H2
InChIKeyMEWDSJNKFBVDJR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.01
Rot. Bonds2

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone (PubChem CID 4879889) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
PubChem CID4879889
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H16N2O/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)14-6-2-1-3-7-14/h1-9,11H,10,12-13H2
InChIKeyMEWDSJNKFBVDJR-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone (CID 4879889) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is MEWDSJNKFBVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17(16-8-4-5-11-18-16)19-12-9-15(10-13-19)14-6-2-1-3-7-14/h1-9,11H,10,12-13H2.
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 4879889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).