(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

C23H25N3O — CID 158547261

IUPAC(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1cccc(N2CCCC(c3ccccc3)C2)n1.[H][H]
InChIInChI=1S/C23H23N3O.H2/c1-17-20(11-6-14-24-17)23(27)21-12-5-13-22(25-21)26-15-7-10-19(16-26)18-8-3-2-4-9-18;/h2-6,8-9,11-14,19H,7,10,15-16H2,1H3;1H
InChIKeyHPGUVRNEBYHVPD-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.65
Rot. Bonds4

About (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen

(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158547261) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158547261
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCc1ncccc1C(=O)c1cccc(N2CCCC(c3ccccc3)C2)n1.[H][H]
InChIInChI=1S/C23H23N3O.H2/c1-17-20(11-6-14-24-17)23(27)21-12-5-13-22(25-21)26-15-7-10-19(16-26)18-8-3-2-4-9-18;/h2-6,8-9,11-14,19H,7,10,15-16H2,1H3;1H
InChIKeyHPGUVRNEBYHVPD-UHFFFAOYSA-N
XLogP4.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 158547261) is (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is Cc1ncccc1C(=O)c1cccc(N2CCCC(c3ccccc3)C2)n1.[H][H].
What is the InChIKey of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is HPGUVRNEBYHVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.H2/c1-17-20(11-6-14-24-17)23(27)21-12-5-13-22(25-21)26-15-7-10-19(16-26)18-8-3-2-4-9-18;/h2-6,8-9,11-14,19H,7,10,15-16H2,1H3;1H.
What are the key properties of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen?
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 359.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperidin-1-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158547261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).