N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide

C22H31N3O3 — CID 54591824

IUPACN-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(CO)CC2)n1
InChIInChI=1S/C22H31N3O3/c26-13-14-4-6-25(7-5-14)19-3-1-2-18(23-19)21(27)24-20-16-8-15-9-17(20)12-22(28,10-15)11-16/h1-3,14-17,20,26,28H,4-13H2,(H,24,27)
InChIKeyAQQIMFSACPJVQY-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.96
Rot. Bonds4

About N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide

N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 54591824) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide
PubChem CID54591824
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(CO)CC2)n1
InChIInChI=1S/C22H31N3O3/c26-13-14-4-6-25(7-5-14)19-3-1-2-18(23-19)21(27)24-20-16-8-15-9-17(20)12-22(28,10-15)11-16/h1-3,14-17,20,26,28H,4-13H2,(H,24,27)
InChIKeyAQQIMFSACPJVQY-UHFFFAOYSA-N
XLogP1.96
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide (CID 54591824) is N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cccc(N2CCC(CO)CC2)n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is AQQIMFSACPJVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-13-14-4-6-25(7-5-14)19-3-1-2-18(23-19)21(27)24-20-16-8-15-9-17(20)12-22(28,10-15)11-16/h1-3,14-17,20,26,28H,4-13H2,(H,24,27).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 54591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).