N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide

C24H25N3O — CID 117082142

IUPACN-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C24H25N3O/c28-24(23-13-7-12-22(26-23)20-10-5-2-6-11-20)25-21-14-16-27(17-15-21)18-19-8-3-1-4-9-19/h1-13,21H,14-18H2,(H,25,28)
InChIKeyLFTKENREKLGDAY-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.14
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide (PubChem CID 117082142) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
PubChem CID117082142
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C24H25N3O/c28-24(23-13-7-12-22(26-23)20-10-5-2-6-11-20)25-21-14-16-27(17-15-21)18-19-8-3-1-4-9-19/h1-13,21H,14-18H2,(H,25,28)
InChIKeyLFTKENREKLGDAY-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide (CID 117082142) is N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide?
The InChIKey is LFTKENREKLGDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(23-13-7-12-22(26-23)20-10-5-2-6-11-20)25-21-14-16-27(17-15-21)18-19-8-3-1-4-9-19/h1-13,21H,14-18H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 117082142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).