N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide

C18H21N3O2 — CID 98953251

IUPACN-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(O)c1
InChIInChI=1S/C18H21N3O2/c22-17-10-15(11-19-12-17)18(23)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,22H,6-9,13H2,(H,20,23)
InChIKeyGOAOQOYOGNWONZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.18
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide (PubChem CID 98953251) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide
PubChem CID98953251
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(O)c1
InChIInChI=1S/C18H21N3O2/c22-17-10-15(11-19-12-17)18(23)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,22H,6-9,13H2,(H,20,23)
InChIKeyGOAOQOYOGNWONZ-UHFFFAOYSA-N
XLogP2.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide (CID 98953251) is N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(O)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is GOAOQOYOGNWONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-10-15(11-19-12-17)18(23)20-16-6-8-21(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16,22H,6-9,13H2,(H,20,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 98953251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).