N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C24H36N4O2 — CID 126464527

IUPACN-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCC(N(C)Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1
InChIInChI=1S/C24H36N4O2/c1-27-7-5-20(6-8-27)28(2)14-19-3-4-21(23(29)25-19)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,15-18,20,22H,5-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySQPUBLFFUSXVMF-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.46
Rot. Bonds5

About N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126464527) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126464527
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN1CCC(N(C)Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1
InChIInChI=1S/C24H36N4O2/c1-27-7-5-20(6-8-27)28(2)14-19-3-4-21(23(29)25-19)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,15-18,20,22H,5-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeySQPUBLFFUSXVMF-UHFFFAOYSA-N
XLogP2.46
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126464527) is N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CN1CCC(N(C)Cc2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1.
What is the InChIKey of N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SQPUBLFFUSXVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-27-7-5-20(6-8-27)28(2)14-19-3-4-21(23(29)25-19)24(30)26-22-17-10-15-9-16(12-17)13-18(22)11-15/h3-4,15-18,20,22H,5-14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126464527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).