N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C23H33N3O2 — CID 56858834

IUPACN-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCCN1Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1
InChIInChI=1S/C23H33N3O2/c1-15-4-2-3-7-26(15)14-19-5-6-20(21(27)24-19)22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,15-18H,2-4,7-14H2,1H3,(H,24,27)(H,25,28)
InChIKeySUCMFLBMMAVKAS-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.45
Rot. Bonds4

About N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56858834) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56858834
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCCN1Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1
InChIInChI=1S/C23H33N3O2/c1-15-4-2-3-7-26(15)14-19-5-6-20(21(27)24-19)22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,15-18H,2-4,7-14H2,1H3,(H,24,27)(H,25,28)
InChIKeySUCMFLBMMAVKAS-UHFFFAOYSA-N
XLogP3.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56858834) is N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is CC1CCCCN1Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1.
What is the InChIKey of N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SUCMFLBMMAVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-15-4-2-3-7-26(15)14-19-5-6-20(21(27)24-19)22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h5-6,15-18H,2-4,7-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56858834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).