6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide

C21H31N3O — CID 164623542

IUPAC6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)nc1
InChIInChI=1S/C21H31N3O/c1-19-7-15-8-20(2,12-19)14-21(9-15,13-19)24(4)11-17-6-5-16(10-23-17)18(25)22-3/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,22,25)/t15?,19-,20+,21?
InChIKeyAPXIZGKRDYFKGR-LVBDODCMSA-N
MW341.50 g/mol
LogP3.62
Rot. Bonds4

About 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide

6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 164623542) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide
PubChem CID164623542
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)nc1
InChIInChI=1S/C21H31N3O/c1-19-7-15-8-20(2,12-19)14-21(9-15,13-19)24(4)11-17-6-5-16(10-23-17)18(25)22-3/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,22,25)/t15?,19-,20+,21?
InChIKeyAPXIZGKRDYFKGR-LVBDODCMSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide (CID 164623542) is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(CN(C)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)nc1.
What is the InChIKey of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is APXIZGKRDYFKGR-LVBDODCMSA-N. The full InChI is InChI=1S/C21H31N3O/c1-19-7-15-8-20(2,12-19)14-21(9-15,13-19)24(4)11-17-6-5-16(10-23-17)18(25)22-3/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,22,25)/t15?,19-,20+,21?.
What are the key properties of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide?
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 164623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).