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

C23H35N3O — CID 164623211

IUPAC6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C(=O)NC)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C23H35N3O/c1-5-8-26(13-19-7-6-18(12-25-19)20(27)24-4)23-11-17-9-21(2,15-23)14-22(3,10-17)16-23/h6-7,12,17H,5,8-11,13-16H2,1-4H3,(H,24,27)/t17?,21-,22+,23?
InChIKeyAXLXSMCDMSEZGA-SVIALIIXSA-N
MW369.55 g/mol
LogP4.40
Rot. Bonds6

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

6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 164623211) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide
PubChem CID164623211
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide
SMILESCCCN(Cc1ccc(C(=O)NC)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C23H35N3O/c1-5-8-26(13-19-7-6-18(12-25-19)20(27)24-4)23-11-17-9-21(2,15-23)14-22(3,10-17)16-23/h6-7,12,17H,5,8-11,13-16H2,1-4H3,(H,24,27)/t17?,21-,22+,23?
InChIKeyAXLXSMCDMSEZGA-SVIALIIXSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.40
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]-propylamino]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide (CID 164623211) is 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide is CCCN(Cc1ccc(C(=O)NC)cn1)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.
What is the InChIKey of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is AXLXSMCDMSEZGA-SVIALIIXSA-N. The full InChI is InChI=1S/C23H35N3O/c1-5-8-26(13-19-7-6-18(12-25-19)20(27)24-4)23-11-17-9-21(2,15-23)14-22(3,10-17)16-23/h6-7,12,17H,5,8-11,13-16H2,1-4H3,(H,24,27)/t17?,21-,22+,23?.
What are the key properties of 6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide?
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-propylamino]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 4.40, 6 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]-propylamino]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 164623211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).