N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide

C21H29N3O — CID 84573912

IUPACN-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H29N3O/c25-20(18-4-5-22-19(11-18)24-6-2-1-3-7-24)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h4-5,11,15-17H,1-3,6-10,12-14H2,(H,23,25)
InChIKeyYSVWLNOYMMWJEU-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.77
Rot. Bonds3

About N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide

N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 84573912) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID84573912
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H29N3O/c25-20(18-4-5-22-19(11-18)24-6-2-1-3-7-24)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h4-5,11,15-17H,1-3,6-10,12-14H2,(H,23,25)
InChIKeyYSVWLNOYMMWJEU-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide (CID 84573912) is N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(N2CCCCC2)c1.
What is the InChIKey of N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is YSVWLNOYMMWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-20(18-4-5-22-19(11-18)24-6-2-1-3-7-24)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h4-5,11,15-17H,1-3,6-10,12-14H2,(H,23,25).
What are the key properties of N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide?
N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84573912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).