N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide

C22H31N3O2 — CID 26333304

IUPACN-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)[nH]c1=O
InChIInChI=1S/C22H31N3O2/c26-20-19(5-4-18(23-20)14-25-6-2-1-3-7-25)21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,15-17H,1-3,6-14H2,(H,23,26)(H,24,27)
InChIKeyNEIJCSTWMGGLQM-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.06
Rot. Bonds4

About N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide

N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 26333304) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID26333304
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)[nH]c1=O
InChIInChI=1S/C22H31N3O2/c26-20-19(5-4-18(23-20)14-25-6-2-1-3-7-25)21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,15-17H,1-3,6-14H2,(H,23,26)(H,24,27)
InChIKeyNEIJCSTWMGGLQM-UHFFFAOYSA-N
XLogP3.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide (CID 26333304) is N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)[nH]c1=O.
What is the InChIKey of N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NEIJCSTWMGGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-20-19(5-4-18(23-20)14-25-6-2-1-3-7-25)21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-5,15-17H,1-3,6-14H2,(H,23,26)(H,24,27).
What are the key properties of N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26333304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).