6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

C24H34N4O3 — CID 67465187

IUPAC6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)CCC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C24H34N4O3/c25-20(29)5-4-15-6-8-28(9-7-15)21-3-1-2-19(26-21)23(30)27-22-17-10-16-11-18(22)14-24(31,12-16)13-17/h1-3,15-18,22,31H,4-14H2,(H2,25,29)(H,27,30)
InChIKeyROHLMJDNOQMLQP-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.23
Rot. Bonds6

About 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide

6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (PubChem CID 67465187) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
PubChem CID67465187
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
SMILESNC(=O)CCC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1
InChIInChI=1S/C24H34N4O3/c25-20(29)5-4-15-6-8-28(9-7-15)21-3-1-2-19(26-21)23(30)27-22-17-10-16-11-18(22)14-24(31,12-16)13-17/h1-3,15-18,22,31H,4-14H2,(H2,25,29)(H,27,30)
InChIKeyROHLMJDNOQMLQP-UHFFFAOYSA-N
XLogP2.23
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide (CID 67465187) is 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is NC(=O)CCC1CCN(c2cccc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)n2)CC1.
What is the InChIKey of 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
The InChIKey is ROHLMJDNOQMLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c25-20(29)5-4-15-6-8-28(9-7-15)21-3-1-2-19(26-21)23(30)27-22-17-10-16-11-18(22)14-24(31,12-16)13-17/h1-3,15-18,22,31H,4-14H2,(H2,25,29)(H,27,30).
What are the key properties of 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide?
6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-amino-3-oxopropyl)piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide is sourced from PubChem (CID 67465187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).