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

C23H33N3O2 — CID 42451071

IUPACN-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCCC2)[nH]c1=O
InChIInChI=1S/C23H33N3O2/c27-22(24-13-21-17-9-15-8-16(11-17)12-18(21)10-15)20-5-4-19(25-23(20)28)14-26-6-2-1-3-7-26/h4-5,15-18,21H,1-3,6-14H2,(H,24,27)(H,25,28)
InChIKeyQAZGABPDSHRVDA-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.16
Rot. Bonds5

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

N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 42451071) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID42451071
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCCC2)[nH]c1=O
InChIInChI=1S/C23H33N3O2/c27-22(24-13-21-17-9-15-8-16(11-17)12-18(21)10-15)20-5-4-19(25-23(20)28)14-26-6-2-1-3-7-26/h4-5,15-18,21H,1-3,6-14H2,(H,24,27)(H,25,28)
InChIKeyQAZGABPDSHRVDA-UHFFFAOYSA-N
XLogP3.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 26333304
N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56860163
N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 26316200
N-(2-adamantylmethyl)-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 26336790
N-(2-adamantylmethyl)-6-[[1-(furan-2-yl)ethyl-methylamino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56859800
2-oxo-6-(piperidin-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 26400595
N-(1-adamantyl)-6-[(2-methylpiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56858834
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 26325914
N-[(2-chlorophenyl)methyl]-2-oxo-6-[(4-phenylpiperidin-1-yl)methyl]-1H-pyridine-3-carboxamide
CID 42499051
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-6-(thiomorpholin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 56855909
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 126466969
6-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126463176

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide (CID 42451071) is N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCCCC2)[nH]c1=O.
What is the InChIKey of N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QAZGABPDSHRVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(24-13-21-17-9-15-8-16(11-17)12-18(21)10-15)20-5-4-19(25-23(20)28)14-26-6-2-1-3-7-26/h4-5,15-18,21H,1-3,6-14H2,(H,24,27)(H,25,28).
What are the key properties of N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-2-oxo-6-(piperidin-1-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42451071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).