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

C22H31N3O3 — CID 56860163

IUPACN-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCC(O)CC2)[nH]c1=O
InChIInChI=1S/C22H31N3O3/c26-18-3-5-25(6-4-18)12-17-1-2-19(21(27)23-17)22(28)24-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,13-16,18,20,26H,3-12H2,(H,23,27)(H,24,28)
InChIKeyDZJQPIWPCJBZTG-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.89
Rot. Bonds4

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

N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56860163) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56860163
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCC(O)CC2)[nH]c1=O
InChIInChI=1S/C22H31N3O3/c26-18-3-5-25(6-4-18)12-17-1-2-19(21(27)23-17)22(28)24-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,13-16,18,20,26H,3-12H2,(H,23,27)(H,24,28)
InChIKeyDZJQPIWPCJBZTG-UHFFFAOYSA-N
XLogP1.89
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56860163) is N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(CN2CCC(O)CC2)[nH]c1=O.
What is the InChIKey of N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DZJQPIWPCJBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-18-3-5-25(6-4-18)12-17-1-2-19(21(27)23-17)22(28)24-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,13-16,18,20,26H,3-12H2,(H,23,27)(H,24,28).
What are the key properties of N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56860163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).